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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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).