(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol

C12H22O2 — CID 139125528

IUPAC(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@H]1C[C@@H](O)[C@](C)([C@H](O)CC)C1
InChIInChI=1S/C12H22O2/c1-5-10(13)12(4)7-9(8(2)3)6-11(12)14/h9-11,13-14H,2,5-7H2,1,3-4H3/t9-,10+,11+,12-/m0/s1
InChIKeyLAOVBCFRDDGFPF-QCNOEVLYSA-N
MW198.31 g/mol
LogP2.11
Rot. Bonds3

About (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol

(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 139125528) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID139125528
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@H]1C[C@@H](O)[C@](C)([C@H](O)CC)C1
InChIInChI=1S/C12H22O2/c1-5-10(13)12(4)7-9(8(2)3)6-11(12)14/h9-11,13-14H,2,5-7H2,1,3-4H3/t9-,10+,11+,12-/m0/s1
InChIKeyLAOVBCFRDDGFPF-QCNOEVLYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol with MolForge

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Related Compounds

(-)-Chokol A
CID 181328
3-(1-(3-Hydroxypropyl)vinyl)-1,2-dimethylcyclopentanol
CID 500065
1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol
CID 9883561
Chokol E
CID 180085
Chokol G
CID 180087
Teucladiol
CID 16046185
Chokol B
CID 181329
(1R,6S,11S,12R,13R,15S)-6,12,16-trimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-ene-11,13-diol
CID 11324173
CID 14336607
CID 14336607
3-(4-Hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
CID 14336615
(3S)-6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-6-ene-2,3-diol
CID 53242583
(1R,2S,3R)-3-[(5R)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 163006305

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol (CID 139125528) is (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)[C@H]1C[C@@H](O)[C@](C)([C@H](O)CC)C1.
What is the InChIKey of (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is LAOVBCFRDDGFPF-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-10(13)12(4)7-9(8(2)3)6-11(12)14/h9-11,13-14H,2,5-7H2,1,3-4H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol?
(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 139125528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).