(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol

C11H18O — CID 10931800

IUPAC(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol
SMILESC=C1[C@@H](O)C=C(CCC)C1(C)C
InChIInChI=1S/C11H18O/c1-5-6-9-7-10(12)8(2)11(9,3)4/h7,10,12H,2,5-6H2,1,3-4H3/t10-/m0/s1
InChIKeyQZKRSQWWJAGYSY-JTQLQIEISA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds2

About (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol

(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol (PubChem CID 10931800) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol
PubChem CID10931800
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol
SMILESC=C1[C@@H](O)C=C(CCC)C1(C)C
InChIInChI=1S/C11H18O/c1-5-6-9-7-10(12)8(2)11(9,3)4/h7,10,12H,2,5-6H2,1,3-4H3/t10-/m0/s1
InChIKeyQZKRSQWWJAGYSY-JTQLQIEISA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
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

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
(+)-cis-Carveol
CID 443177
Isophorol
CID 79016
(+)-trans-Carveol
CID 443178
beta-Nootkatol
CID 182645
Sandalore
CID 103212
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
2,6,6-Trimethylcyclohexene-1-methanol
CID 111664
(-)-trans-Isopiperitenol
CID 439410
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol?
The IUPAC name of (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol (CID 10931800) is (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol?
The canonical SMILES for (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol is C=C1[C@@H](O)C=C(CCC)C1(C)C.
What is the InChIKey of (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol?
The InChIKey is QZKRSQWWJAGYSY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18O/c1-5-6-9-7-10(12)8(2)11(9,3)4/h7,10,12H,2,5-6H2,1,3-4H3/t10-/m0/s1.
What are the key properties of (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol?
(1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4-dimethyl-5-methylidene-3-propylcyclopent-2-en-1-ol is sourced from PubChem (CID 10931800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).