1,1-dicyclopropylpropan-1-ol

C9H16O — CID 13014696

IUPAC1,1-dicyclopropylpropan-1-ol
SMILESCCC(O)(C1CC1)C1CC1
InChIInChI=1S/C9H16O/c1-2-9(10,7-3-4-7)8-5-6-8/h7-8,10H,2-6H2,1H3
InChIKeyHNYGTVORZJCAIQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds3

About 1,1-dicyclopropylpropan-1-ol

1,1-dicyclopropylpropan-1-ol (PubChem CID 13014696) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,1-dicyclopropylpropan-1-ol.

Molecular Properties

Compound Name1,1-dicyclopropylpropan-1-ol
PubChem CID13014696
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1,1-dicyclopropylpropan-1-ol
SMILESCCC(O)(C1CC1)C1CC1
InChIInChI=1S/C9H16O/c1-2-9(10,7-3-4-7)8-5-6-8/h7-8,10H,2-6H2,1H3
InChIKeyHNYGTVORZJCAIQ-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropylpropan-1-ol?
The IUPAC name of 1,1-dicyclopropylpropan-1-ol (CID 13014696) is 1,1-dicyclopropylpropan-1-ol.
What is the SMILES notation for 1,1-dicyclopropylpropan-1-ol?
The canonical SMILES for 1,1-dicyclopropylpropan-1-ol is CCC(O)(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropylpropan-1-ol?
The InChIKey is HNYGTVORZJCAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-9(10,7-3-4-7)8-5-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 1,1-dicyclopropylpropan-1-ol?
1,1-dicyclopropylpropan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropylpropan-1-ol is sourced from PubChem (CID 13014696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).