(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane

C29H60 — CID 145240141

IUPAC(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane
SMILESCC.CC.CC.CCCCC1CCCC2CCCCC/C(C)=C/CC2C(C)CC1
InChIInChI=1S/C23H42.3C2H6/c1-4-5-11-21-12-9-14-22-13-8-6-7-10-19(2)15-18-23(22)20(3)16-17-21;3*1-2/h15,20-23H,4-14,16-18H2,1-3H3;3*1-2H3/b19-15+;;;
InChIKeyCSPQIARYGGBQFI-OSPSBOFQSA-N
MW408.80 g/mol
LogP11.00
Rot. Bonds3

About (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane

(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane (PubChem CID 145240141) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane.

Molecular Properties

Compound Name(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane
PubChem CID145240141
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane
SMILESCC.CC.CC.CCCCC1CCCC2CCCCC/C(C)=C/CC2C(C)CC1
InChIInChI=1S/C23H42.3C2H6/c1-4-5-11-21-12-9-14-22-13-8-6-7-10-19(2)15-18-23(22)20(3)16-17-21;3*1-2/h15,20-23H,4-14,16-18H2,1-3H3;3*1-2H3/b19-15+;;;
InChIKeyCSPQIARYGGBQFI-OSPSBOFQSA-N
XLogP11.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane with MolForge

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Related Compounds

butane;butylcyclohexane;1-cyclohexyl-2-methylcyclohexane;ethane;propane
CID 160507844
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
1-butyl-4-propylcyclononane
CID 123467552
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-butyl-4-methylcyclooctane
CID 123623113
1-butyl-5-(3-ethylcyclohexyl)cyclopentadecane
CID 58552665
1-(5-butylcyclopentadecyl)-2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552772
CID 171376493
CID 171376493
butylcyclohexane;N-methylmethanamine
CID 174941558
cis-(1S,3R)-1-butyl-3-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexane
CID 18640233
1-cyclohexyl-4-nonylcyclohexane
CID 56627592

Frequently Asked Questions

What is the IUPAC name of (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane?
The IUPAC name of (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane (CID 145240141) is (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane.
What is the SMILES notation for (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane?
The canonical SMILES for (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane is CC.CC.CC.CCCCC1CCCC2CCCCC/C(C)=C/CC2C(C)CC1.
What is the InChIKey of (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane?
The InChIKey is CSPQIARYGGBQFI-OSPSBOFQSA-N. The full InChI is InChI=1S/C23H42.3C2H6/c1-4-5-11-21-12-9-14-22-13-8-6-7-10-19(2)15-18-23(22)20(3)16-17-21;3*1-2/h15,20-23H,4-14,16-18H2,1-3H3;3*1-2H3/b19-15+;;;.
What are the key properties of (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane?
(3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane has a molecular weight of 408.80 g/mol, XLogP of 11.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-14-butyl-4,17-dimethylbicyclo[8.7.0]heptadec-3-ene;ethane is sourced from PubChem (CID 145240141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).