decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane

C73H144N2 — CID 156650861

IUPACdecane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
SMILESC=C/C(CC)=C(/C)C(CC)CCC.C=C/C=C\C(C)=C/C.C=CCCCCCN(CCCCCCCCCC)NCCCCCCCCCCCC.CC.CCC.CCC1=CC=CCC1.CCCCCCCCCC
InChIInChI=1S/C29H60N2.C13H24.C10H22.2C8H12.C3H8.C2H6/c1-4-7-10-13-15-17-18-19-21-24-27-30-31(28-25-22-12-9-6-3)29-26-23-20-16-14-11-8-5-2;1-6-10-13(9-4)11(5)12(7-2)8-3;1-3-5-7-9-10-8-6-4-2;1-2-8-6-4-3-5-7-8;1-4-6-7-8(3)5-2;1-3-2;1-2/h6,30H,3-5,7-29H2,1-2H3;7,13H,2,6,8-10H2,1,3-5H3;3-10H2,1-2H3;3-4,6H,2,5,7H2,1H3;4-7H,1H2,2-3H3;3H2,1-2H3;1-2H3/b;12-11+;;;7-6-,8-5-;;
InChIKeyBNFMSOJMBRDXTF-CVYWIWAHSA-N
MW1049.97 g/mol
LogP26.28
Rot. Bonds43

About decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane

decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane (PubChem CID 156650861) has the molecular formula C73H144N2 and a molecular weight of 1049.97 g/mol. Its IUPAC name is decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane.

Molecular Properties

Compound Namedecane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
PubChem CID156650861
Molecular FormulaC73H144N2
Molecular Weight1049.97 g/mol
Exact Mass1049.13
IUPAC Namedecane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
SMILESC=C/C(CC)=C(/C)C(CC)CCC.C=C/C=C\C(C)=C/C.C=CCCCCCN(CCCCCCCCCC)NCCCCCCCCCCCC.CC.CCC.CCC1=CC=CCC1.CCCCCCCCCC
InChIInChI=1S/C29H60N2.C13H24.C10H22.2C8H12.C3H8.C2H6/c1-4-7-10-13-15-17-18-19-21-24-27-30-31(28-25-22-12-9-6-3)29-26-23-20-16-14-11-8-5-2;1-6-10-13(9-4)11(5)12(7-2)8-3;1-3-5-7-9-10-8-6-4-2;1-2-8-6-4-3-5-7-8;1-4-6-7-8(3)5-2;1-3-2;1-2/h6,30H,3-5,7-29H2,1-2H3;7,13H,2,6,8-10H2,1,3-5H3;3-10H2,1-2H3;3-4,6H,2,5,7H2,1H3;4-7H,1H2,2-3H3;3H2,1-2H3;1-2H3/b;12-11+;;;7-6-,8-5-;;
InChIKeyBNFMSOJMBRDXTF-CVYWIWAHSA-N
XLogP26.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.97
LogP ≤ 526.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane with MolForge

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Related Compounds

2-ethyl-1,1-bis[(Z)-octadec-9-enyl]hydrazine
CID 87250860
2-[(4-ethylcyclohexa-1,3-dien-1-yl)methyl]-N-[[(1E,3Z)-6-methylcycloocta-1,3-dien-1-yl]methyl]-N'-(2-prop-1-en-2-ylhex-5-enyl)hexane-1,6-diamine
CID 89126718
2-(3,4-Dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine
CID 123196619
N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine
CID 123732506
6-methyl-4-[(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propyl]-N-(2-methylpropyl)hept-5-en-1-amine
CID 132210067
1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E)-2-ethylidenepentyl]-2-[(2E)-2-propan-2-ylpenta-2,4-dienyl]hydrazine
CID 139542181
(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene
CID 141220113
1,2-Diazabicyclo[8.8.8]hexacos-5-ene
CID 154118705
1-(9-methyldodecyl)-1-[(9E,11E)-tetradeca-9,11-dienyl]hydrazine
CID 155420485
1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine
CID 155485573
1-[1-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane
CID 156743346
Ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
CID 156876100

Frequently Asked Questions

What is the IUPAC name of decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
The IUPAC name of decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane (CID 156650861) is decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane.
What is the SMILES notation for decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
The canonical SMILES for decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane is C=C/C(CC)=C(/C)C(CC)CCC.C=C/C=C\C(C)=C/C.C=CCCCCCN(CCCCCCCCCC)NCCCCCCCCCCCC.CC.CCC.CCC1=CC=CCC1.CCCCCCCCCC.
What is the InChIKey of decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
The InChIKey is BNFMSOJMBRDXTF-CVYWIWAHSA-N. The full InChI is InChI=1S/C29H60N2.C13H24.C10H22.2C8H12.C3H8.C2H6/c1-4-7-10-13-15-17-18-19-21-24-27-30-31(28-25-22-12-9-6-3)29-26-23-20-16-14-11-8-5-2;1-6-10-13(9-4)11(5)12(7-2)8-3;1-3-5-7-9-10-8-6-4-2;1-2-8-6-4-3-5-7-8;1-4-6-7-8(3)5-2;1-3-2;1-2/h6,30H,3-5,7-29H2,1-2H3;7,13H,2,6,8-10H2,1,3-5H3;3-10H2,1-2H3;3-4,6H,2,5,7H2,1H3;4-7H,1H2,2-3H3;3H2,1-2H3;1-2H3/b;12-11+;;;7-6-,8-5-;;.
What are the key properties of decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane?
decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane has a molecular weight of 1049.97 g/mol, XLogP of 26.28, 43 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane is sourced from PubChem (CID 156650861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).