(4,4-dimethylcyclopent-2-en-1-yl)methanol

C8H14O — CID 70210358

IUPAC(4,4-dimethylcyclopent-2-en-1-yl)methanol
SMILESCC1(C)C=CC(CO)C1
InChIInChI=1S/C8H14O/c1-8(2)4-3-7(5-8)6-9/h3-4,7,9H,5-6H2,1-2H3
InChIKeyKONPAVVMDZFLDA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.58
Rot. Bonds1

About (4,4-dimethylcyclopent-2-en-1-yl)methanol

(4,4-dimethylcyclopent-2-en-1-yl)methanol (PubChem CID 70210358) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4,4-dimethylcyclopent-2-en-1-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethylcyclopent-2-en-1-yl)methanol
PubChem CID70210358
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4,4-dimethylcyclopent-2-en-1-yl)methanol
SMILESCC1(C)C=CC(CO)C1
InChIInChI=1S/C8H14O/c1-8(2)4-3-7(5-8)6-9/h3-4,7,9H,5-6H2,1-2H3
InChIKeyKONPAVVMDZFLDA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclopent-2-en-1-yl)methanol?
The IUPAC name of (4,4-dimethylcyclopent-2-en-1-yl)methanol (CID 70210358) is (4,4-dimethylcyclopent-2-en-1-yl)methanol.
What is the SMILES notation for (4,4-dimethylcyclopent-2-en-1-yl)methanol?
The canonical SMILES for (4,4-dimethylcyclopent-2-en-1-yl)methanol is CC1(C)C=CC(CO)C1.
What is the InChIKey of (4,4-dimethylcyclopent-2-en-1-yl)methanol?
The InChIKey is KONPAVVMDZFLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(2)4-3-7(5-8)6-9/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of (4,4-dimethylcyclopent-2-en-1-yl)methanol?
(4,4-dimethylcyclopent-2-en-1-yl)methanol 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 (4,4-dimethylcyclopent-2-en-1-yl)methanol is sourced from PubChem (CID 70210358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).