2,5,5-trimethylhexan-1-ol

C9H20O — CID 3020914

IUPAC2,5,5-trimethylhexan-1-ol
SMILESCC(CO)CCC(C)(C)C
InChIInChI=1S/C9H20O/c1-8(7-10)5-6-9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyXBNGABCTADSMHF-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds3

About 2,5,5-trimethylhexan-1-ol

2,5,5-trimethylhexan-1-ol (PubChem CID 3020914) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name2,5,5-trimethylhexan-1-ol
PubChem CID3020914
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2,5,5-trimethylhexan-1-ol
SMILESCC(CO)CCC(C)(C)C
InChIInChI=1S/C9H20O/c1-8(7-10)5-6-9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyXBNGABCTADSMHF-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
6,6,6-trifluoro-2,5-dimethylhexane-1,5-diol
CID 145057950
2,6,6-trimethylheptan-3-ol
CID 20577986
5-ethyl-2-methylheptane-1,5-diol
CID 174921855
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
2,2,3,6,6-pentamethylheptan-1-ol
CID 91591586
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylhexan-1-ol?
The IUPAC name of 2,5,5-trimethylhexan-1-ol (CID 3020914) is 2,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 2,5,5-trimethylhexan-1-ol?
The canonical SMILES for 2,5,5-trimethylhexan-1-ol is CC(CO)CCC(C)(C)C.
What is the InChIKey of 2,5,5-trimethylhexan-1-ol?
The InChIKey is XBNGABCTADSMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(7-10)5-6-9(2,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 2,5,5-trimethylhexan-1-ol?
2,5,5-trimethylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 3020914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).