(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol

C7H11BrO — CID 10330180

IUPAC(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol
SMILESCC1(C)C=C(Br)C[C@@H]1O
InChIInChI=1S/C7H11BrO/c1-7(2)4-5(8)3-6(7)9/h4,6,9H,3H2,1-2H3/t6-/m0/s1
InChIKeyHPXNZCMIZMTFKT-LURJTMIESA-N
MW191.07 g/mol
LogP2.06
Rot. Bonds

About (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol

(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol (PubChem CID 10330180) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol
PubChem CID10330180
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol
SMILESCC1(C)C=C(Br)C[C@@H]1O
InChIInChI=1S/C7H11BrO/c1-7(2)4-5(8)3-6(7)9/h4,6,9H,3H2,1-2H3/t6-/m0/s1
InChIKeyHPXNZCMIZMTFKT-LURJTMIESA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3,5,5-tetramethylcyclohexene-1,4-diol
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3,3-dimethylcyclobutane-1,2-diol
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(5S)-5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
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CID 130037543
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CID 102056099
(1S)-6-bromo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837956
1-[(4-bromophenyl)methyl]-4-methylpiperidine-3,4-diol
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(4S,5R)-4,5-dihydroxy-4-methylcyclohex-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol?
The IUPAC name of (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol (CID 10330180) is (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol.
What is the SMILES notation for (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol?
The canonical SMILES for (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol is CC1(C)C=C(Br)C[C@@H]1O.
What is the InChIKey of (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol?
The InChIKey is HPXNZCMIZMTFKT-LURJTMIESA-N. The full InChI is InChI=1S/C7H11BrO/c1-7(2)4-5(8)3-6(7)9/h4,6,9H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol?
(1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol has a molecular weight of 191.07 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-bromo-2,2-dimethylcyclopent-3-en-1-ol is sourced from PubChem (CID 10330180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).