2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol

C11H20O2 — CID 134944397

IUPAC2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol
SMILESC=C1[C@H](C(C)(C)O)CC[C@]1(C)CO
InChIInChI=1S/C11H20O2/c1-8-9(10(2,3)13)5-6-11(8,4)7-12/h9,12-13H,1,5-7H2,2-4H3/t9-,11-/m1/s1
InChIKeyIWZXWQAQBFSABU-MWLCHTKSSA-N
MW184.28 g/mol
LogP1.72
Rot. Bonds2

About 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol

2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol (PubChem CID 134944397) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol
PubChem CID134944397
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol
SMILESC=C1[C@H](C(C)(C)O)CC[C@]1(C)CO
InChIInChI=1S/C11H20O2/c1-8-9(10(2,3)13)5-6-11(8,4)7-12/h9,12-13H,1,5-7H2,2-4H3/t9-,11-/m1/s1
InChIKeyIWZXWQAQBFSABU-MWLCHTKSSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chokol G
CID 180087
1-(2-Hydroxypropan-2-yl)-3a-methyl-6,10-bis(methylene)tetradecahydrocyclopenta[11]annulene-5,9-diol
CID 51136415
[(1R,3R)-2,2,3-trimethyl-4-methylidenecyclopentyl]methanol
CID 10920731
3-(4-Hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
CID 14336615
6beta,12-Dihydroxytremulene
CID 139588530
((1r,3s)-2,2,3-Trimethyl-4-methylidenecyclopentyl)methanol
CID 14056984
[(1S,3R)-3-Isopropyl-1-methyl-2-methylenecyclopentyl]methanol
CID 14136542
(2R,3S)-2-[(1S,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]-6-methyl-5-methylideneheptane-2,3-diol
CID 44603746
5-Ethyl-3-methylideneheptane-1,5-diol
CID 49793759
2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]ethanol
CID 130903094
trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134860985
cis-(1R,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134861047

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol?
The IUPAC name of 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol (CID 134944397) is 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol.
What is the SMILES notation for 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol?
The canonical SMILES for 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol is C=C1[C@H](C(C)(C)O)CC[C@]1(C)CO.
What is the InChIKey of 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol?
The InChIKey is IWZXWQAQBFSABU-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-9(10(2,3)13)5-6-11(8,4)7-12/h9,12-13H,1,5-7H2,2-4H3/t9-,11-/m1/s1.
What are the key properties of 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol?
2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol is sourced from PubChem (CID 134944397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).