3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol

C12H24O2 — CID 95004190

IUPAC3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
SMILESCC1(C)[C@@H](CCCO)CC[C@@]1(C)CO
InChIInChI=1S/C12H24O2/c1-11(2)10(5-4-8-13)6-7-12(11,3)9-14/h10,13-14H,4-9H2,1-3H3/t10-,12-/m0/s1
InChIKeyKPFWGFWRFVQZMR-JQWIXIFHSA-N
MW200.32 g/mol
LogP2.19
Rot. Bonds4

About 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol

3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol (PubChem CID 95004190) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
PubChem CID95004190
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
SMILESCC1(C)[C@@H](CCCO)CC[C@@]1(C)CO
InChIInChI=1S/C12H24O2/c1-11(2)10(5-4-8-13)6-7-12(11,3)9-14/h10,13-14H,4-9H2,1-3H3/t10-,12-/m0/s1
InChIKeyKPFWGFWRFVQZMR-JQWIXIFHSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one
CID 59054932
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
CID 20578019
3-(2,2-dimethoxycyclohexyl)propan-1-ol
CID 10352822
[2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 4633187
[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 7109758
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
1,3-diethyl-1,2,2-trimethylcyclopentane
CID 123762745
8-(2,2-dimethylcyclopropyl)octan-1-ol
CID 156501168
3-(3,3-dimethyldioxolan-4-yl)propan-1-ol
CID 87498556
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol?
The IUPAC name of 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol (CID 95004190) is 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol.
What is the SMILES notation for 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol?
The canonical SMILES for 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol is CC1(C)[C@@H](CCCO)CC[C@@]1(C)CO.
What is the InChIKey of 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol?
The InChIKey is KPFWGFWRFVQZMR-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2)10(5-4-8-13)6-7-12(11,3)9-14/h10,13-14H,4-9H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol?
3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol is sourced from PubChem (CID 95004190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).