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

C14H24O2 — CID 134860842

IUPAC(2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@]1([C@@H](C)CCO)CC(C)(C)CC1=O
InChIInChI=1S/C14H24O2/c1-5-7-14(11(2)6-8-15)10-13(3,4)9-12(14)16/h5,11,15H,1,6-10H2,2-4H3/t11-,14+/m0/s1
InChIKeyRJVPEHWZSGSDOV-SMDDNHRTSA-N
MW224.34 g/mol
LogP2.96
Rot. Bonds5

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

(2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one (PubChem CID 134860842) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one
PubChem CID134860842
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@]1([C@@H](C)CCO)CC(C)(C)CC1=O
InChIInChI=1S/C14H24O2/c1-5-7-14(11(2)6-8-15)10-13(3,4)9-12(14)16/h5,11,15H,1,6-10H2,2-4H3/t11-,14+/m0/s1
InChIKeyRJVPEHWZSGSDOV-SMDDNHRTSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one (CID 134860842) is (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one is C=CC[C@]1([C@@H](C)CCO)CC(C)(C)CC1=O.
What is the InChIKey of (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one?
The InChIKey is RJVPEHWZSGSDOV-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-7-14(11(2)6-8-15)10-13(3,4)9-12(14)16/h5,11,15H,1,6-10H2,2-4H3/t11-,14+/m0/s1.
What are the key properties of (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one?
(2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one has a molecular weight of 224.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 134860842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).