2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene

C67H114 — CID 162196667

IUPAC2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
SMILESC=C(C)CCC(=C)CC(CCC(=C)C)CCC(=C)C.C=C(C)CCC(CCC(=C)C)CC(=C)CCC(=C)CC(CCC(=C)CCC(=C)CC(CC)CC)CCC(=C)CCC(=C)CC(CC)CC
InChIInChI=1S/C48H82.C19H32/c1-15-45(16-2)33-41(11)23-21-39(9)27-31-48(32-28-40(10)22-24-42(12)34-46(17-3)18-4)36-44(14)26-25-43(13)35-47(29-19-37(5)6)30-20-38(7)8;1-15(2)8-11-18(7)14-19(12-9-16(3)4)13-10-17(5)6/h45-48H,5,7,9-36H2,1-4,6,8H3;19H,1,3,5,7-14H2,2,4,6H3
InChIKeyZRALNAPIZPBPLC-UHFFFAOYSA-N
MW919.65 g/mol
LogP23.22
Rot. Bonds44

About 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene

2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene (PubChem CID 162196667) has the molecular formula C67H114 and a molecular weight of 919.65 g/mol. Its IUPAC name is 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene.

Molecular Properties

Compound Name2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
PubChem CID162196667
Molecular FormulaC67H114
Molecular Weight919.65 g/mol
Exact Mass918.89
IUPAC Name2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
SMILESC=C(C)CCC(=C)CC(CCC(=C)C)CCC(=C)C.C=C(C)CCC(CCC(=C)C)CC(=C)CCC(=C)CC(CCC(=C)CCC(=C)CC(CC)CC)CCC(=C)CCC(=C)CC(CC)CC
InChIInChI=1S/C48H82.C19H32/c1-15-45(16-2)33-41(11)23-21-39(9)27-31-48(32-28-40(10)22-24-42(12)34-46(17-3)18-4)36-44(14)26-25-43(13)35-47(29-19-37(5)6)30-20-38(7)8;1-15(2)8-11-18(7)14-19(12-9-16(3)4)13-10-17(5)6/h45-48H,5,7,9-36H2,1-4,6,8H3;19H,1,3,5,7-14H2,2,4,6H3
InChIKeyZRALNAPIZPBPLC-UHFFFAOYSA-N
XLogP23.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.65
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene with MolForge

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Related Compounds

2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
5-ethyl-2-methylnon-1-ene
CID 23205953
18,23-dimethylidene-20-propyltetracontane
CID 164602954
12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine
CID 137457150
6-methylhept-6-en-3-amine
CID 89243580
9,14-dimethylidene-12-(3-methylidenepentyl)triacontane;ethane;nonane
CID 171825332
5-ethyl-2-methyldeca-1,7-diene
CID 123598746
2-(3-methylbut-3-enyl)propane-1,3-diol
CID 140988004
7-ethyl-2-methylundec-1-en-5-one
CID 139807060
5-ethyl-8-methylidenedecan-3-one
CID 161304636
14-ethyl-11-methylideneoctacosane
CID 142291477
ethene;4-ethyl-2-methylhept-1-ene
CID 142412124

Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene?
The IUPAC name of 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene (CID 162196667) is 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene.
What is the SMILES notation for 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene?
The canonical SMILES for 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene is C=C(C)CCC(=C)CC(CCC(=C)C)CCC(=C)C.C=C(C)CCC(CCC(=C)C)CC(=C)CCC(=C)CC(CCC(=C)CCC(=C)CC(CC)CC)CCC(=C)CCC(=C)CC(CC)CC.
What is the InChIKey of 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene?
The InChIKey is ZRALNAPIZPBPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82.C19H32/c1-15-45(16-2)33-41(11)23-21-39(9)27-31-48(32-28-40(10)22-24-42(12)34-46(17-3)18-4)36-44(14)26-25-43(13)35-47(29-19-37(5)6)30-20-38(7)8;1-15(2)8-11-18(7)14-19(12-9-16(3)4)13-10-17(5)6/h45-48H,5,7,9-36H2,1-4,6,8H3;19H,1,3,5,7-14H2,2,4,6H3.
What are the key properties of 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene?
2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene has a molecular weight of 919.65 g/mol, XLogP of 23.22, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene is sourced from PubChem (CID 162196667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).