1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane

C44H78O — CID 57103728

IUPAC1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCCC1CCC(CCC2CCC(CCCOCCCC3CCC(CCC4CCC(CCCC=C)CC4)CC3)CC2)CC1
InChIInChI=1S/C44H78O/c1-3-5-7-11-37-15-23-41(24-16-37)31-33-43-27-19-39(20-28-43)13-9-35-45-36-10-14-40-21-29-44(30-22-40)34-32-42-25-17-38(18-26-42)12-8-6-4-2/h3-4,37-44H,1-2,5-36H2
InChIKeyMPLTVJCARSMVHG-UHFFFAOYSA-N
MW623.11 g/mol
LogP14.06
Rot. Bonds22

About 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane

1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane (PubChem CID 57103728) has the molecular formula C44H78O and a molecular weight of 623.11 g/mol. Its IUPAC name is 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane
PubChem CID57103728
Molecular FormulaC44H78O
Molecular Weight623.11 g/mol
Exact Mass622.61
IUPAC Name1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane
SMILESC=CCCCC1CCC(CCC2CCC(CCCOCCCC3CCC(CCC4CCC(CCCC=C)CC4)CC3)CC2)CC1
InChIInChI=1S/C44H78O/c1-3-5-7-11-37-15-23-41(24-16-37)31-33-43-27-19-39(20-28-43)13-9-35-45-36-10-14-40-21-29-44(30-22-40)34-32-42-25-17-38(18-26-42)12-8-6-4-2/h3-4,37-44H,1-2,5-36H2
InChIKeyMPLTVJCARSMVHG-UHFFFAOYSA-N
XLogP14.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.11
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane with MolForge

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Related Compounds

1-pent-4-enyl-4-prop-2-enoxycyclohexane
CID 70397512
hex-5-enylcyclopentane
CID 20565123
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
12-dodec-11-enoxydodec-1-ene
CID 87325659
5-(2-bromoethoxy)pent-1-ene
CID 79115016
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
6-[3-hex-5-enoxy-2,2-bis(hex-5-enoxymethyl)propoxy]hex-1-ene
CID 177402979
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-(4-pent-4-enylcyclohexyl)silinan-4-ol
CID 123398056
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
N-(3-cyclopentylpropyl)pent-4-en-1-amine
CID 106010673
1-bromo-3-hept-6-enylcyclopentane
CID 107010537

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane (CID 57103728) is 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane is C=CCCCC1CCC(CCC2CCC(CCCOCCCC3CCC(CCC4CCC(CCCC=C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane?
The InChIKey is MPLTVJCARSMVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H78O/c1-3-5-7-11-37-15-23-41(24-16-37)31-33-43-27-19-39(20-28-43)13-9-35-45-36-10-14-40-21-29-44(30-22-40)34-32-42-25-17-38(18-26-42)12-8-6-4-2/h3-4,37-44H,1-2,5-36H2.
What are the key properties of 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane?
1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane has a molecular weight of 623.11 g/mol, XLogP of 14.06, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-4-[2-[4-[3-[3-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]propoxy]propyl]cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 57103728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).