ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene

C40H70 — CID 143683309

IUPACethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene
SMILESC=CC1C=CCC1C.CC.CC.CC/C=C1/C=CCC/C1=C/CCC1CCCC(CCCC2CCC(C)CC2)C1
InChIInChI=1S/C28H46.C8H12.2C2H6/c1-3-9-27-15-4-5-16-28(27)17-8-14-26-13-7-12-25(22-26)11-6-10-24-20-18-23(2)19-21-24;1-3-8-6-4-5-7(8)2;2*1-2/h4,9,15,17,23-26H,3,5-8,10-14,16,18-22H2,1-2H3;3-4,6-8H,1,5H2,2H3;2*1-2H3/b27-9-,28-17-;;;
InChIKeyDLSCUWKVGPGHQY-XGNUIVDOSA-N
MW551.00 g/mol
LogP13.62
Rot. Bonds9

About ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene

ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene (PubChem CID 143683309) has the molecular formula C40H70 and a molecular weight of 551.00 g/mol. Its IUPAC name is ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene.

Molecular Properties

Compound Nameethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene
PubChem CID143683309
Molecular FormulaC40H70
Molecular Weight551.00 g/mol
Exact Mass550.55
IUPAC Nameethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene
SMILESC=CC1C=CCC1C.CC.CC.CC/C=C1/C=CCC/C1=C/CCC1CCCC(CCCC2CCC(C)CC2)C1
InChIInChI=1S/C28H46.C8H12.2C2H6/c1-3-9-27-15-4-5-16-28(27)17-8-14-26-13-7-12-25(22-26)11-6-10-24-20-18-23(2)19-21-24;1-3-8-6-4-5-7(8)2;2*1-2/h4,9,15,17,23-26H,3,5-8,10-14,16,18-22H2,1-2H3;3-4,6-8H,1,5H2,2H3;2*1-2H3/b27-9-,28-17-;;;
InChIKeyDLSCUWKVGPGHQY-XGNUIVDOSA-N
XLogP13.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.00
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene with MolForge

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Launch Full Analysis

Related Compounds

3-ethenyl-4-methylcyclopentene
CID 143683311
1-methyl-4-pentylcycloheptane
CID 123318058
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-methyl-4-propylcycloheptane
CID 90967653
1,3-dipentylcyclohexane
CID 54105663
1,3-diheptylcyclohexane
CID 19973333
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
1-butyl-4-methylcyclooctane
CID 123623113
1,3-diethylcyclohexane;3,5-diethylcyclohexene;1-ethyl-4-methylcyclohexane;hexane;2-methylhexane;pentane
CID 158773132
1-methyl-5-propylcyclononane
CID 54361658

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene?
The IUPAC name of ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene (CID 143683309) is ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene.
What is the SMILES notation for ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene?
The canonical SMILES for ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene is C=CC1C=CCC1C.CC.CC.CC/C=C1/C=CCC/C1=C/CCC1CCCC(CCCC2CCC(C)CC2)C1.
What is the InChIKey of ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene?
The InChIKey is DLSCUWKVGPGHQY-XGNUIVDOSA-N. The full InChI is InChI=1S/C28H46.C8H12.2C2H6/c1-3-9-27-15-4-5-16-28(27)17-8-14-26-13-7-12-25(22-26)11-6-10-24-20-18-23(2)19-21-24;1-3-8-6-4-5-7(8)2;2*1-2/h4,9,15,17,23-26H,3,5-8,10-14,16,18-22H2,1-2H3;3-4,6-8H,1,5H2,2H3;2*1-2H3/b27-9-,28-17-;;;.
What are the key properties of ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene?
ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene has a molecular weight of 551.00 g/mol, XLogP of 13.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-4-methylcyclopentene;(3Z,4Z)-4-[3-[3-[3-(4-methylcyclohexyl)propyl]cyclohexyl]propylidene]-3-propylidenecyclohexene is sourced from PubChem (CID 143683309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).