trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol

C14H26O2 — CID 134860985

IUPACtrans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@]1([C@@H](C)CCO)CC(C)(C)C[C@@H]1O
InChIInChI=1S/C14H26O2/c1-5-7-14(11(2)6-8-15)10-13(3,4)9-12(14)16/h5,11-12,15-16H,1,6-10H2,2-4H3/t11-,12-,14+/m0/s1
InChIKeyIBCIOPDHJXQGFW-SGMGOOAPSA-N
MW226.36 g/mol
LogP2.75
Rot. Bonds5

About trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol

trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol (PubChem CID 134860985) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
PubChem CID134860985
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nametrans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@]1([C@@H](C)CCO)CC(C)(C)C[C@@H]1O
InChIInChI=1S/C14H26O2/c1-5-7-14(11(2)6-8-15)10-13(3,4)9-12(14)16/h5,11-12,15-16H,1,6-10H2,2-4H3/t11-,12-,14+/m0/s1
InChIKeyIBCIOPDHJXQGFW-SGMGOOAPSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol with MolForge

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Related Compounds

8-Acoren-3,11-diol
CID 156581681
3beta-Hydroxy-beta-acorenol
CID 146682793
(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 102076031
(1s,3r)-3-(2-Methoxyethyl)-2,2-dimethyl-5-methylencyclopentanol
CID 15348633
(1R,2S,5S)-2-(2-hydroxypent-4-enyl)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentan-1-ol
CID 49871418
(1S)-1-[(1S,2R)-2-[(1S)-1-hydroxyethyl]-1-methylcyclopentyl]but-3-en-1-ol
CID 90925683
1-[(1s,2R,5S)-2,5-Diethenyl-1-methylcyclopentyl]ethan-1-ol
CID 130918738
cis-(1R,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134861047
1-[(1R,2R)-2-ethenyl-1-methyl-5-[(2R)-oxiran-2-yl]cyclopentyl]ethanol
CID 134864155
1-[(1S,2S)-2-ethenyl-1,3,3-trimethylcyclopentyl]but-3-en-2-ol
CID 134889542
2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol
CID 134944397
1-[(1S,3S)-1-methyl-3-propan-2-yl-2-prop-2-enylcyclopentyl]pent-4-en-2-ol
CID 135017268

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol (CID 134860985) is trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol is C=CC[C@]1([C@@H](C)CCO)CC(C)(C)C[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol?
The InChIKey is IBCIOPDHJXQGFW-SGMGOOAPSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-7-14(11(2)6-8-15)10-13(3,4)9-12(14)16/h5,11-12,15-16H,1,6-10H2,2-4H3/t11-,12-,14+/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol?
trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 134860985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).