(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol

C8H14O — CID 58878675

IUPAC(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
SMILESCC(C)[C@@H]1C=CC[C@H]1O
InChIInChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h3-4,6-9H,5H2,1-2H3/t7-,8+/m0/s1
InChIKeyLBMACUYPICZZFT-JGVFFNPUSA-N
MW126.20 g/mol
LogP1.58
Rot. Bonds1

About (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol

(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol (PubChem CID 58878675) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
PubChem CID58878675
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
SMILESCC(C)[C@@H]1C=CC[C@H]1O
InChIInChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h3-4,6-9H,5H2,1-2H3/t7-,8+/m0/s1
InChIKeyLBMACUYPICZZFT-JGVFFNPUSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ebanol
CID 6437266
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
1-Terpinen-5-ol
CID 68124095
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
1-(Cyclohex-2-en-1-yl)ethan-1-ol
CID 86534
3-Cyclohexene-1-methanol, 6-methyl-
CID 110637
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
p-Mentha-1(6),8-dien-3-ol
CID 14844669
6-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol
CID 109412
5-Methyl-1-hepten-4-ol
CID 145341
5,5-Dimethyl-3-cyclohexen-1-ol
CID 546038
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
CID 6504499

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol?
The IUPAC name of (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol (CID 58878675) is (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol is CC(C)[C@@H]1C=CC[C@H]1O.
What is the InChIKey of (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol?
The InChIKey is LBMACUYPICZZFT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)7-4-3-5-8(7)9/h3-4,6-9H,5H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol?
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol is sourced from PubChem (CID 58878675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).