7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol

C24H42O2 — CID 57192812

IUPAC7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol
SMILESCCC(O)CCCCC1C=C(C2=CC(CCCCC(O)CC)CC2)CC1
InChIInChI=1S/C24H42O2/c1-3-23(25)11-7-5-9-19-13-15-21(17-19)22-16-14-20(18-22)10-6-8-12-24(26)4-2/h17-20,23-26H,3-16H2,1-2H3
InChIKeyDYENFTNLYXRYHQ-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.32
Rot. Bonds13

About 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol

7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol (PubChem CID 57192812) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol.

Molecular Properties

Compound Name7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol
PubChem CID57192812
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol
SMILESCCC(O)CCCCC1C=C(C2=CC(CCCCC(O)CC)CC2)CC1
InChIInChI=1S/C24H42O2/c1-3-23(25)11-7-5-9-19-13-15-21(17-19)22-16-14-20(18-22)10-6-8-12-24(26)4-2/h17-20,23-26H,3-16H2,1-2H3
InChIKeyDYENFTNLYXRYHQ-UHFFFAOYSA-N
XLogP6.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol?
The IUPAC name of 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol (CID 57192812) is 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol.
What is the SMILES notation for 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol?
The canonical SMILES for 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol is CCC(O)CCCCC1C=C(C2=CC(CCCCC(O)CC)CC2)CC1.
What is the InChIKey of 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol?
The InChIKey is DYENFTNLYXRYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-23(25)11-7-5-9-19-13-15-21(17-19)22-16-14-20(18-22)10-6-8-12-24(26)4-2/h17-20,23-26H,3-16H2,1-2H3.
What are the key properties of 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol?
7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol has a molecular weight of 362.60 g/mol, XLogP of 6.32, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol is sourced from PubChem (CID 57192812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).