2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane

C30H46O — CID 58555880

IUPAC2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane
SMILESC/C=C/CCc1ccc(C2CCC(C3CCC(C4CCC(CCC)O4)CC3)CC2)cc1
InChIInChI=1S/C30H46O/c1-3-5-6-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)30-22-21-29(31-30)7-4-2/h3,5,9-12,25-30H,4,6-8,13-22H2,1-2H3/b5-3+
InChIKeyMOUACFQMNOVFJM-HWKANZROSA-N
MW422.70 g/mol
LogP8.62
Rot. Bonds8

About 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane

2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane (PubChem CID 58555880) has the molecular formula C30H46O and a molecular weight of 422.70 g/mol. Its IUPAC name is 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane
PubChem CID58555880
Molecular FormulaC30H46O
Molecular Weight422.70 g/mol
Exact Mass422.35
IUPAC Name2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane
SMILESC/C=C/CCc1ccc(C2CCC(C3CCC(C4CCC(CCC)O4)CC3)CC2)cc1
InChIInChI=1S/C30H46O/c1-3-5-6-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)30-22-21-29(31-30)7-4-2/h3,5,9-12,25-30H,4,6-8,13-22H2,1-2H3/b5-3+
InChIKeyMOUACFQMNOVFJM-HWKANZROSA-N
XLogP8.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.70
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870531
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 158251328
(4aR,6R,8aR)-2-methyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809526
2-(4-ethoxycyclohexyl)-6-[4-[(E)-pent-3-enyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868631
2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384397
(4aR,6R,8aR)-2-ethyl-6-[4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809523
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
5-(oxiran-2-yl)-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]oxane
CID 89008540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane?
The IUPAC name of 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane (CID 58555880) is 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane.
What is the SMILES notation for 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane?
The canonical SMILES for 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane is C/C=C/CCc1ccc(C2CCC(C3CCC(C4CCC(CCC)O4)CC3)CC2)cc1.
What is the InChIKey of 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane?
The InChIKey is MOUACFQMNOVFJM-HWKANZROSA-N. The full InChI is InChI=1S/C30H46O/c1-3-5-6-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)30-22-21-29(31-30)7-4-2/h3,5,9-12,25-30H,4,6-8,13-22H2,1-2H3/b5-3+.
What are the key properties of 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane?
2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane has a molecular weight of 422.70 g/mol, XLogP of 8.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane is sourced from PubChem (CID 58555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).