trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol

C10H18O — CID 11084100

IUPACtrans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@@H]1CC(C)(C)C[C@H]1O
InChIInChI=1S/C10H18O/c1-7(2)8-5-10(3,4)6-9(8)11/h8-9,11H,1,5-6H2,2-4H3/t8-,9+/m0/s1
InChIKeyOQIXVZYDCWMLSZ-DTWKUNHWSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds1

About trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol

trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 11084100) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID11084100
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nametrans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@@H]1CC(C)(C)C[C@H]1O
InChIInChI=1S/C10H18O/c1-7(2)8-5-10(3,4)6-9(8)11/h8-9,11H,1,5-6H2,2-4H3/t8-,9+/m0/s1
InChIKeyOQIXVZYDCWMLSZ-DTWKUNHWSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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,3R)-2,2,3-trimethyl-4-methylidenecyclopentyl]methanol
CID 10920731
4-(4,4-Dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol
CID 129300055
2-Methyl-5-prop-1-en-2-ylcyclopentan-1-ol
CID 12835432
2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptan-7-ol
CID 15559879
((1r,3s)-2,2,3-Trimethyl-4-methylidenecyclopentyl)methanol
CID 14056984
[(1S,3R)-3-Isopropyl-1-methyl-2-methylenecyclopentyl]methanol
CID 14136542
4-Cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol
CID 130125153
2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol
CID 130903094
(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 134904108
1-(4,4-Dimethyl-2-methylidenecyclopentyl)hexan-1-ol
CID 134906309
cis-(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol
CID 134971752
(1R,2R)-1-cyclopentyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 134978835

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol (CID 11084100) is trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)[C@@H]1CC(C)(C)C[C@H]1O.
What is the InChIKey of trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is OQIXVZYDCWMLSZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)8-5-10(3,4)6-9(8)11/h8-9,11H,1,5-6H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol?
trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 11084100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).