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

C10H20O2 — CID 7053987

IUPAC[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol
SMILESCC1(C)[C@@H](CO)CC[C@@]1(C)CO
InChIInChI=1S/C10H20O2/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8,11-12H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeySHBHXOXBWWDHLT-SCZZXKLOSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds2

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

[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol (PubChem CID 7053987) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol
PubChem CID7053987
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol
SMILESCC1(C)[C@@H](CO)CC[C@@]1(C)CO
InChIInChI=1S/C10H20O2/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8,11-12H,4-7H2,1-3H3/t8-,10+/m1/s1
InChIKeySHBHXOXBWWDHLT-SCZZXKLOSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol (CID 7053987) is [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol is CC1(C)[C@@H](CO)CC[C@@]1(C)CO.
What is the InChIKey of [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol?
The InChIKey is SHBHXOXBWWDHLT-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)8(6-11)4-5-10(9,3)7-12/h8,11-12H,4-7H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of [(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol?
[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 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)-2,2,3-trimethylcyclopentyl]methanol is sourced from PubChem (CID 7053987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).