1,2,3-trimethylcyclopropan-1-ol

C6H12O — CID 91184731

IUPAC1,2,3-trimethylcyclopropan-1-ol
SMILESCC1C(C)C1(C)O
InChIInChI=1S/C6H12O/c1-4-5(2)6(4,3)7/h4-5,7H,1-3H3
InChIKeyVDTIPIWIBXSOCT-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.02
Rot. Bonds

About 1,2,3-trimethylcyclopropan-1-ol

1,2,3-trimethylcyclopropan-1-ol (PubChem CID 91184731) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 1,2,3-trimethylcyclopropan-1-ol.

Molecular Properties

Compound Name1,2,3-trimethylcyclopropan-1-ol
PubChem CID91184731
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name1,2,3-trimethylcyclopropan-1-ol
SMILESCC1C(C)C1(C)O
InChIInChI=1S/C6H12O/c1-4-5(2)6(4,3)7/h4-5,7H,1-3H3
InChIKeyVDTIPIWIBXSOCT-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol
CID 134875141
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
3,4,5-trimethylpiperidin-4-ol;hydrochloride
CID 175817344
(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
CID 124807375
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
2-chloro-1,1,3-trimethylcyclopropane
CID 557870
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913
2-methylcyclopropane-1,1-diol
CID 68932442
1,2,3,4-tetramethylcyclobutane-1,2-dicarboxylic acid
CID 130020433
[(1R,3R)-2,2,3-trimethylcyclopropyl]methanol
CID 14202706

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclopropan-1-ol?
The IUPAC name of 1,2,3-trimethylcyclopropan-1-ol (CID 91184731) is 1,2,3-trimethylcyclopropan-1-ol.
What is the SMILES notation for 1,2,3-trimethylcyclopropan-1-ol?
The canonical SMILES for 1,2,3-trimethylcyclopropan-1-ol is CC1C(C)C1(C)O.
What is the InChIKey of 1,2,3-trimethylcyclopropan-1-ol?
The InChIKey is VDTIPIWIBXSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-5(2)6(4,3)7/h4-5,7H,1-3H3.
What are the key properties of 1,2,3-trimethylcyclopropan-1-ol?
1,2,3-trimethylcyclopropan-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclopropan-1-ol is sourced from PubChem (CID 91184731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).