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

C9H16O2 — CID 131002832

IUPAC[(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol
SMILESC=C1[C@@H](CO)CC[C@@]1(C)CO
InChIInChI=1S/C9H16O2/c1-7-8(5-10)3-4-9(7,2)6-11/h8,10-11H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyKJSXTSOILAJCLP-BDAKNGLRSA-N
MW156.22 g/mol
LogP0.94
Rot. Bonds2

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

[(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol (PubChem CID 131002832) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol
PubChem CID131002832
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol
SMILESC=C1[C@@H](CO)CC[C@@]1(C)CO
InChIInChI=1S/C9H16O2/c1-7-8(5-10)3-4-9(7,2)6-11/h8,10-11H,1,3-6H2,2H3/t8-,9+/m1/s1
InChIKeyKJSXTSOILAJCLP-BDAKNGLRSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.94
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

(1,3-Dimethyl-2-methylene-cyclopentyl)-methanol
CID 572858
3-Methylene-5,5-dimethyl-1-hexanol
CID 19956460
[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
2-Ethyl-5,5-dimethyl-3-methylidenehexan-1-ol
CID 87088406
2,5,5-Trimethyl-3-methylidenehexan-1-ol
CID 87088430
[(1S,3R)-3-Isopropyl-1-methyl-2-methylenecyclopentyl]methanol
CID 14136542
1-(4,4-Dimethyl-2-methylidenecyclopentyl)hexan-1-ol
CID 134906309
2-[(1R,3S)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]propan-2-ol
CID 134944397
[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol
CID 134964831
[(1R,2E,3S)-3-(hydroxymethyl)-3-methyl-2-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 134964905
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685
(3,3,4-Trimethyl-2-methylidenecyclopentyl)methanol
CID 133679951

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol (CID 131002832) is [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol is C=C1[C@@H](CO)CC[C@@]1(C)CO.
What is the InChIKey of [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol?
The InChIKey is KJSXTSOILAJCLP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-8(5-10)3-4-9(7,2)6-11/h8,10-11H,1,3-6H2,2H3/t8-,9+/m1/s1.
What are the key properties of [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol?
[(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol has a molecular weight of 156.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(hydroxymethyl)-3-methyl-2-methylidenecyclopentyl]methanol is sourced from PubChem (CID 131002832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).