4,4-dicyclopropylbutan-1-ol

C10H18O — CID 10511081

IUPAC4,4-dicyclopropylbutan-1-ol
SMILESOCCCC(C1CC1)C1CC1
InChIInChI=1S/C10H18O/c11-7-1-2-10(8-3-4-8)9-5-6-9/h8-11H,1-7H2
InChIKeyIKLXSXVLMLIQQM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.20
Rot. Bonds5

About 4,4-dicyclopropylbutan-1-ol

4,4-dicyclopropylbutan-1-ol (PubChem CID 10511081) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,4-dicyclopropylbutan-1-ol.

Molecular Properties

Compound Name4,4-dicyclopropylbutan-1-ol
PubChem CID10511081
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,4-dicyclopropylbutan-1-ol
SMILESOCCCC(C1CC1)C1CC1
InChIInChI=1S/C10H18O/c11-7-1-2-10(8-3-4-8)9-5-6-9/h8-11H,1-7H2
InChIKeyIKLXSXVLMLIQQM-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dicyclopropylbutan-1-ol?
The IUPAC name of 4,4-dicyclopropylbutan-1-ol (CID 10511081) is 4,4-dicyclopropylbutan-1-ol.
What is the SMILES notation for 4,4-dicyclopropylbutan-1-ol?
The canonical SMILES for 4,4-dicyclopropylbutan-1-ol is OCCCC(C1CC1)C1CC1.
What is the InChIKey of 4,4-dicyclopropylbutan-1-ol?
The InChIKey is IKLXSXVLMLIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c11-7-1-2-10(8-3-4-8)9-5-6-9/h8-11H,1-7H2.
What are the key properties of 4,4-dicyclopropylbutan-1-ol?
4,4-dicyclopropylbutan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dicyclopropylbutan-1-ol is sourced from PubChem (CID 10511081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).