11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen

C241H492 — CID 159591693

IUPAC11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen
SMILESC=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCC/C=C/C(C)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCCCC(C)(CCCCCCCCCC)CCCCCCCCCC.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C33H68.5C32H64.2C24H48.4H2/c1-5-8-11-14-17-20-23-26-29-32-33(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;4*1-5-8-11-14-17-19-22-25-28-32(29-26-23-20-18-15-12-9-6-2)30-31(4)27-24-21-16-13-10-7-3;1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;2*1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2;;;;/h5-32H2,1-4H3;4*32H,4-30H2,1-3H3;26,29H,5-25,27-28,30-31H2,1-4H3;2*3-23H2,1-2H3;4*1H/b;;;;;29-26+;;;;;;
InChIKeyMKIBDDVLRJTNTN-ORKDOJBJSA-N
MW3390.59 g/mol
LogP94.53
Rot. Bonds202

About 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen

11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen (PubChem CID 159591693) has the molecular formula C241H492 and a molecular weight of 3390.59 g/mol. Its IUPAC name is 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen.

Molecular Properties

Compound Name11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen
PubChem CID159591693
Molecular FormulaC241H492
Molecular Weight3390.59 g/mol
Exact Mass3387.85
IUPAC Name11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen
SMILESC=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCC/C=C/C(C)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCCCC(C)(CCCCCCCCCC)CCCCCCCCCC.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C33H68.5C32H64.2C24H48.4H2/c1-5-8-11-14-17-20-23-26-29-32-33(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;4*1-5-8-11-14-17-19-22-25-28-32(29-26-23-20-18-15-12-9-6-2)30-31(4)27-24-21-16-13-10-7-3;1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;2*1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2;;;;/h5-32H2,1-4H3;4*32H,4-30H2,1-3H3;26,29H,5-25,27-28,30-31H2,1-4H3;2*3-23H2,1-2H3;4*1H/b;;;;;29-26+;;;;;;
InChIKeyMKIBDDVLRJTNTN-ORKDOJBJSA-N
XLogP94.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds202
Heavy Atoms241
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003390.59
LogP ≤ 594.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen with MolForge

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Related Compounds

11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
CID 139380837
18,23-dimethylidene-20-propyltetracontane
CID 164602954
9,14-dimethylidene-12-(3-methylidenepentyl)triacontane;ethane;nonane
CID 171825332
5-ethyl-3-methylidene-N-[(Z)-undec-4-enyl]decan-1-amine;prop-1-ene
CID 166117737
14-ethyl-11-methylideneoctacosane
CID 142291477
6-methylidenedodecane
CID 21453027
N-butyl-23-hexyl-3,21-dimethylidenenonacosan-12-amine
CID 174290780
6-methylidenetetradecane
CID 21477883
8-methylidenedodec-1-ene
CID 169088157
17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
17-methylidenetricosan-9-amine
CID 129036120

Frequently Asked Questions

What is the IUPAC name of 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen?
The IUPAC name of 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen (CID 159591693) is 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen.
What is the SMILES notation for 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen?
The canonical SMILES for 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen is C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCC/C=C/C(C)(CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCCCC(C)(CCCCCCCCCC)CCCCCCCCCC.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen?
The InChIKey is MKIBDDVLRJTNTN-ORKDOJBJSA-N. The full InChI is InChI=1S/C33H68.5C32H64.2C24H48.4H2/c1-5-8-11-14-17-20-23-26-29-32-33(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;4*1-5-8-11-14-17-19-22-25-28-32(29-26-23-20-18-15-12-9-6-2)30-31(4)27-24-21-16-13-10-7-3;1-5-8-11-14-17-20-23-26-29-32(4,30-27-24-21-18-15-12-9-6-2)31-28-25-22-19-16-13-10-7-3;2*1-4-6-8-10-12-14-15-17-19-21-23-24(3)22-20-18-16-13-11-9-7-5-2;;;;/h5-32H2,1-4H3;4*32H,4-30H2,1-3H3;26,29H,5-25,27-28,30-31H2,1-4H3;2*3-23H2,1-2H3;4*1H/b;;;;;29-26+;;;;;;.
What are the key properties of 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen?
11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen has a molecular weight of 3390.59 g/mol, XLogP of 94.53, 202 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decyl-11-methyldocosane;(E)-11-decyl-11-methylhenicos-9-ene;tetrakis(11-decyl-9-methylidenehenicosane);bis(11-methylidenetricosane);molecular hydrogen is sourced from PubChem (CID 159591693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).