[(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol

C10H18O — CID 10487087

IUPAC[(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol
SMILESCCC(C)C1=CC[C@@H](CO)C1
InChIInChI=1S/C10H18O/c1-3-8(2)10-5-4-9(6-10)7-11/h5,8-9,11H,3-4,6-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyPYNWIBHKLIIRHD-YGPZHTELSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds3

About [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol

[(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol (PubChem CID 10487087) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol
PubChem CID10487087
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol
SMILESCCC(C)C1=CC[C@@H](CO)C1
InChIInChI=1S/C10H18O/c1-3-8(2)10-5-4-9(6-10)7-11/h5,8-9,11H,3-4,6-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyPYNWIBHKLIIRHD-YGPZHTELSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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

[(1R,3E,6S)-3-butan-2-yl-6-[tert-butyl(dimethyl)silyl]oxycyclooct-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10906055
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
(4-methylcyclohex-3-en-1-yl)methanol
CID 564672
5-butan-2-yl-3-methyl-3,4-dihydropyridine
CID 166850848
4-[(2R)-butan-2-yl]-1,2,3,6-tetrahydropyridine
CID 89108916
2,3-dihydro-1H-inden-2-ylmethanol;ethane
CID 91145840
3-[(1E,6Z)-6-butan-2-yl-4-ethyl-2,3,9-trimethylcyclonona-1,6-dien-1-yl]-2-methylbutan-1-imine
CID 170402703
(S)-[4-[(2R)-butan-2-yl]cyclohex-3-en-1-yl]methoxy-[3-(2-methylbutan-2-ylsulfanyl)propylamino]methanol
CID 148869237
[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 67908983
(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
CID 142893677
[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
CID 116842627
5-(hydroxymethyl)cyclohex-2-en-1-one
CID 13073151

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol?
The IUPAC name of [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol (CID 10487087) is [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol?
The canonical SMILES for [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol is CCC(C)C1=CC[C@@H](CO)C1.
What is the InChIKey of [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol?
The InChIKey is PYNWIBHKLIIRHD-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18O/c1-3-8(2)10-5-4-9(6-10)7-11/h5,8-9,11H,3-4,6-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol?
[(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-butan-2-ylcyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 10487087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).