1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane

C27H46O — CID 58555460

IUPAC1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C3CCC(C4CCC(OCC)C4)CC3)CC2)CC1
InChIInChI=1S/C27H46O/c1-3-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-27(19-26)28-4-2/h3,20-27H,1,4-19H2,2H3
InChIKeyYYJWEKKJKFENSG-UHFFFAOYSA-N
MW386.66 g/mol
LogP7.80
Rot. Bonds6

About 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane

1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 58555460) has the molecular formula C27H46O and a molecular weight of 386.66 g/mol. Its IUPAC name is 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
PubChem CID58555460
Molecular FormulaC27H46O
Molecular Weight386.66 g/mol
Exact Mass386.35
IUPAC Name1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(C3CCC(C4CCC(OCC)C4)CC3)CC2)CC1
InChIInChI=1S/C27H46O/c1-3-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-27(19-26)28-4-2/h3,20-27H,1,4-19H2,2H3
InChIKeyYYJWEKKJKFENSG-UHFFFAOYSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane (CID 58555460) is 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(C3CCC(C4CCC(OCC)C4)CC3)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is YYJWEKKJKFENSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O/c1-3-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-27(19-26)28-4-2/h3,20-27H,1,4-19H2,2H3.
What are the key properties of 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane?
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 386.66 g/mol, XLogP of 7.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 58555460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).