4-methyl-3-propan-2-ylheptan-2-ol

C11H24O — CID 107885963

IUPAC4-methyl-3-propan-2-ylheptan-2-ol
SMILESCCCC(C)C(C(C)C)C(C)O
InChIInChI=1S/C11H24O/c1-6-7-9(4)11(8(2)3)10(5)12/h8-12H,6-7H2,1-5H3
InChIKeyZPHYVNULNWDLSV-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds5

About 4-methyl-3-propan-2-ylheptan-2-ol

4-methyl-3-propan-2-ylheptan-2-ol (PubChem CID 107885963) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4-methyl-3-propan-2-ylheptan-2-ol.

Molecular Properties

Compound Name4-methyl-3-propan-2-ylheptan-2-ol
PubChem CID107885963
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4-methyl-3-propan-2-ylheptan-2-ol
SMILESCCCC(C)C(C(C)C)C(C)O
InChIInChI=1S/C11H24O/c1-6-7-9(4)11(8(2)3)10(5)12/h8-12H,6-7H2,1-5H3
InChIKeyZPHYVNULNWDLSV-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
(2R)-3-methylhexan-2-ol
CID 88692749
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
(4R)-4-methylheptan-3-ol
CID 12799251
2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
CID 165015674
hexane-2,3-diol
CID 159913798
(2R)-pentan-2-ol
CID 7014876
6-butan-2-yl-2,3,4,5,7-pentamethyldecane
CID 123624469
1-amino-4,5-dimethyloctan-1-ol
CID 88903955
6-tert-butyl-3-methylnonan-2-ol
CID 130315725
2-methyl-1-(3-methylbutoxy)pentan-1-ol
CID 57131480
2,3-dimethylpentane;hexan-3-ol
CID 143653257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-ylheptan-2-ol?
The IUPAC name of 4-methyl-3-propan-2-ylheptan-2-ol (CID 107885963) is 4-methyl-3-propan-2-ylheptan-2-ol.
What is the SMILES notation for 4-methyl-3-propan-2-ylheptan-2-ol?
The canonical SMILES for 4-methyl-3-propan-2-ylheptan-2-ol is CCCC(C)C(C(C)C)C(C)O.
What is the InChIKey of 4-methyl-3-propan-2-ylheptan-2-ol?
The InChIKey is ZPHYVNULNWDLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-9(4)11(8(2)3)10(5)12/h8-12H,6-7H2,1-5H3.
What are the key properties of 4-methyl-3-propan-2-ylheptan-2-ol?
4-methyl-3-propan-2-ylheptan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-ylheptan-2-ol is sourced from PubChem (CID 107885963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).