4,4-dimethyl-2-propylpentan-1-ol

C10H22O — CID 87272554

IUPAC4,4-dimethyl-2-propylpentan-1-ol
SMILESCCCC(CO)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-5-6-9(8-11)7-10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyTVDUZVIJAUNRRO-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds4

About 4,4-dimethyl-2-propylpentan-1-ol

4,4-dimethyl-2-propylpentan-1-ol (PubChem CID 87272554) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-propylpentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-propylpentan-1-ol
PubChem CID87272554
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4,4-dimethyl-2-propylpentan-1-ol
SMILESCCCC(CO)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-5-6-9(8-11)7-10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyTVDUZVIJAUNRRO-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propylpentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-propylpentan-1-ol (CID 87272554) is 4,4-dimethyl-2-propylpentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-propylpentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-propylpentan-1-ol is CCCC(CO)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-propylpentan-1-ol?
The InChIKey is TVDUZVIJAUNRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-6-9(8-11)7-10(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-propylpentan-1-ol?
4,4-dimethyl-2-propylpentan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propylpentan-1-ol is sourced from PubChem (CID 87272554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).