1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol

C14H24O2 — CID 86176853

IUPAC1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol
SMILESC=CC(CC1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C14H24O2/c1-2-12(14(16)9-5-6-10-14)11-13(15)7-3-4-8-13/h2,12,15-16H,1,3-11H2
InChIKeyZNIQDZVBNCQDAU-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.79
Rot. Bonds4

About 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol

1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol (PubChem CID 86176853) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol
PubChem CID86176853
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol
SMILESC=CC(CC1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C14H24O2/c1-2-12(14(16)9-5-6-10-14)11-13(15)7-3-4-8-13/h2,12,15-16H,1,3-11H2
InChIKeyZNIQDZVBNCQDAU-UHFFFAOYSA-N
XLogP2.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyldec-1-en-4-ol
CID 13024446
(1R,2S)-2-((R)-but-3-en-2-yl)-[1,1'-bi(cyclopentan)]-2-ol
CID 178185616
trans-(1S,2R)-2-cyclopentyl-1-prop-2-enylcyclopentan-1-ol
CID 178185706
(3R,4S)-3,4-dimethyldec-1-en-4-ol
CID 21765310
(3R,4R)-3,4-dimethyldec-1-en-4-ol
CID 170849264
3-Isopropyl-4-methyl-dec-1-en-4-ol
CID 549831
(3S)-3-ethenyl-2,8-dimethylnonan-2-ol
CID 88622245
1-Cyclopentyl-2-methylpent-4-en-2-ol
CID 141162827
(3S)-1-cyclopentyl-3-methylhex-5-en-3-ol
CID 141162829
3-Ethenyl-2-methylundecan-2-ol
CID 151270497
trans-(1R,2S)-2-but-3-enyl-1-methylcyclopentan-1-ol;trans-(1S,2R)-2-but-3-enyl-1-methylcyclopentan-1-ol
CID 158240374
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopentan-1-ol;trans-(1S,2S)-1-methyl-2-pent-4-enylcyclopentan-1-ol
CID 162181911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol (CID 86176853) is 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol is C=CC(CC1(O)CCCC1)C1(O)CCCC1.
What is the InChIKey of 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol?
The InChIKey is ZNIQDZVBNCQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-12(14(16)9-5-6-10-14)11-13(15)7-3-4-8-13/h2,12,15-16H,1,3-11H2.
What are the key properties of 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol?
1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol is sourced from PubChem (CID 86176853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).