2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol

C10H14O — CID 12952598

IUPAC2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=C(C)C(O)CC1=C
InChIInChI=1S/C10H14O/c1-4-5-9-7(2)6-10(11)8(9)3/h4,10-11H,1-2,5-6H2,3H3
InChIKeyHTHWNDHJAXDKSD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.20
Rot. Bonds2

About 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol

2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 12952598) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol
PubChem CID12952598
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=C(C)C(O)CC1=C
InChIInChI=1S/C10H14O/c1-4-5-9-7(2)6-10(11)8(9)3/h4,10-11H,1-2,5-6H2,3H3
InChIKeyHTHWNDHJAXDKSD-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.20
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 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol (CID 12952598) is 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol is C=CCC1=C(C)C(O)CC1=C.
What is the InChIKey of 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is HTHWNDHJAXDKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-5-9-7(2)6-10(11)8(9)3/h4,10-11H,1-2,5-6H2,3H3.
What are the key properties of 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol?
2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 12952598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).