1-cyclopropyl-2,2-dimethylpropan-1-ol

C8H16O — CID 12562242

IUPAC1-cyclopropyl-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)C1CC1
InChIInChI=1S/C8H16O/c1-8(2,3)7(9)6-4-5-6/h6-7,9H,4-5H2,1-3H3
InChIKeyGRXCSPHKDYTYMJ-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds1

About 1-cyclopropyl-2,2-dimethylpropan-1-ol

1-cyclopropyl-2,2-dimethylpropan-1-ol (PubChem CID 12562242) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-cyclopropyl-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-2,2-dimethylpropan-1-ol
PubChem CID12562242
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-cyclopropyl-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)C1CC1
InChIInChI=1S/C8H16O/c1-8(2,3)7(9)6-4-5-6/h6-7,9H,4-5H2,1-3H3
InChIKeyGRXCSPHKDYTYMJ-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-cyclopropyl-2,2-dimethylpropan-1-ol (CID 12562242) is 1-cyclopropyl-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-cyclopropyl-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-cyclopropyl-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2,2-dimethylpropan-1-ol?
The InChIKey is GRXCSPHKDYTYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-8(2,3)7(9)6-4-5-6/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-2,2-dimethylpropan-1-ol?
1-cyclopropyl-2,2-dimethylpropan-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 12562242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).