1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol

C12H22O2 — CID 15939184

IUPAC1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol
SMILESC=C([C@@H](O)C(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C12H22O2/c1-9(10(13)11(2,3)4)12(14)7-5-6-8-12/h10,13-14H,1,5-8H2,2-4H3/t10-/m1/s1
InChIKeyVUFPPRUJAVYITL-SNVBAGLBSA-N
MW198.31 g/mol
LogP2.25
Rot. Bonds2

About 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol

1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol (PubChem CID 15939184) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol
PubChem CID15939184
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol
SMILESC=C([C@@H](O)C(C)(C)C)C1(O)CCCC1
InChIInChI=1S/C12H22O2/c1-9(10(13)11(2,3)4)12(14)7-5-6-8-12/h10,13-14H,1,5-8H2,2-4H3/t10-/m1/s1
InChIKeyVUFPPRUJAVYITL-SNVBAGLBSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
3-Methyl-4-methylideneoctane-1,3-diol
CID 11480722
Caryophylla-4(14),8(15)-dien-5a-ol
CID 6429047
4-Cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol
CID 130125153
(1R,2R)-1-cyclopentyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 134904108
(1R,2R)-1-cyclopentyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 134978835
(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
CID 139125528
Caryophylla-4(14),8(15)-dien-5beta-ol
CID 6429048
1-(3-Hydroxy-4,4-dimethylpent-1-en-2-yl)cyclopentan-1-ol
CID 15442004
(3R)-3,7-dimethyloct-7-ene-1,6-diol
CID 21309200
(6S)-3,7-dimethyloct-7-ene-1,6-diol
CID 53900144
7,7-Dimethyl-6-methylideneoctane-3,5-diol
CID 57171849

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol?
The IUPAC name of 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol (CID 15939184) is 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol is C=C([C@@H](O)C(C)(C)C)C1(O)CCCC1.
What is the InChIKey of 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol?
The InChIKey is VUFPPRUJAVYITL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(10(13)11(2,3)4)12(14)7-5-6-8-12/h10,13-14H,1,5-8H2,2-4H3/t10-/m1/s1.
What are the key properties of 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol?
1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-4,4-dimethylpent-1-en-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 15939184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).