(1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol

C8H14O2 — CID 58620305

IUPAC(1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](C)C[C@H](O)[C@H]1CO
InChIInChI=1S/C8H14O2/c1-5-3-8(10)7(4-9)6(5)2/h5,7-10H,2-4H2,1H3/t5-,7+,8+/m1/s1
InChIKeyJDKFAAWADRREMY-DTLFHODZSA-N
MW142.20 g/mol
LogP0.55
Rot. Bonds1

About (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol

(1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol (PubChem CID 58620305) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol
PubChem CID58620305
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](C)C[C@H](O)[C@H]1CO
InChIInChI=1S/C8H14O2/c1-5-3-8(10)7(4-9)6(5)2/h5,7-10H,2-4H2,1H3/t5-,7+,8+/m1/s1
InChIKeyJDKFAAWADRREMY-DTLFHODZSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol (CID 58620305) is (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol is C=C1[C@H](C)C[C@H](O)[C@H]1CO.
What is the InChIKey of (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol?
The InChIKey is JDKFAAWADRREMY-DTLFHODZSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-8(10)7(4-9)6(5)2/h5,7-10H,2-4H2,1H3/t5-,7+,8+/m1/s1.
What are the key properties of (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol?
(1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 58620305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).