2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol

C10H20O2 — CID 134854816

IUPAC2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol
SMILESCC(C)(C)[C@@H]1C(CCO)[C@@H]1CO
InChIInChI=1S/C10H20O2/c1-10(2,3)9-7(4-5-11)8(9)6-12/h7-9,11-12H,4-6H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyQZHGWZZCNPXPBX-SXNZSPLWSA-N
MW172.27 g/mol
LogP1.27
Rot. Bonds3

About 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol

2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol (PubChem CID 134854816) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol
PubChem CID134854816
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol
SMILESCC(C)(C)[C@@H]1C(CCO)[C@@H]1CO
InChIInChI=1S/C10H20O2/c1-10(2,3)9-7(4-5-11)8(9)6-12/h7-9,11-12H,4-6H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyQZHGWZZCNPXPBX-SXNZSPLWSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Propanediol, 2-ethyl-2-isopentyl-
CID 212993
2-(2,2,3,3-Tetramethylcyclopropyl)ethan-1-ol
CID 129809488
3-(2,2-Dimethylcyclopropyl)propan-1-ol
CID 73721210
(2-Tert-butylcyclopropyl)methanol
CID 85299219
3-[1-(3-Hydroxypropyl)cyclopropyl]propan-1-ol
CID 125424402
rel-(1R,3S)-1,2,2-Trimethyl-1,3-cyclopentanedimethanol
CID 7053987
rac-((1R,2R)-2-tert-butylcyclopropyl)methanol
CID 10877140
4-(2-Methylcyclopropyl)butan-1-ol
CID 154747277
(1r,3s)-(+)-1-Hydroxymethyl-2,2-dimethyl-3-methoxyethylcyclo-propane
CID 21593501
{(1Rs,2rs)-2-[2-((sr)-2,2dimethylcyclopropyl)ethyl]-2-methylcyclopropyl}methanol
CID 13498011
3,5,5-Trimethylheptanol
CID 21482691
2,4,4-Trimethyl-1-heptanol
CID 129852893

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol?
The IUPAC name of 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol (CID 134854816) is 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol is CC(C)(C)[C@@H]1C(CCO)[C@@H]1CO.
What is the InChIKey of 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol?
The InChIKey is QZHGWZZCNPXPBX-SXNZSPLWSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)9-7(4-5-11)8(9)6-12/h7-9,11-12H,4-6H2,1-3H3/t7?,8-,9+/m0/s1.
What are the key properties of 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol?
2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol has a molecular weight of 172.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-2-tert-butyl-3-(hydroxymethyl)cyclopropyl]ethanol is sourced from PubChem (CID 134854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).