(3R)-3-methyl-3-propan-2-ylheptan-2-ol

C11H24O — CID 126716836

IUPAC(3R)-3-methyl-3-propan-2-ylheptan-2-ol
SMILESCCCC[C@](C)(C(C)C)C(C)O
InChIInChI=1S/C11H24O/c1-6-7-8-11(5,9(2)3)10(4)12/h9-10,12H,6-8H2,1-5H3/t10?,11-/m1/s1
InChIKeyZJUPMELXGXBUKT-RRKGBCIJSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds5

About (3R)-3-methyl-3-propan-2-ylheptan-2-ol

(3R)-3-methyl-3-propan-2-ylheptan-2-ol (PubChem CID 126716836) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (3R)-3-methyl-3-propan-2-ylheptan-2-ol.

Molecular Properties

Compound Name(3R)-3-methyl-3-propan-2-ylheptan-2-ol
PubChem CID126716836
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(3R)-3-methyl-3-propan-2-ylheptan-2-ol
SMILESCCCC[C@](C)(C(C)C)C(C)O
InChIInChI=1S/C11H24O/c1-6-7-8-11(5,9(2)3)10(4)12/h9-10,12H,6-8H2,1-5H3/t10?,11-/m1/s1
InChIKeyZJUPMELXGXBUKT-RRKGBCIJSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol
CID 126694486
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3-butylheptane-2,3-diol
CID 11008688
2-methyl-2-propan-2-ylbutane-1,3-diol
CID 12660971
3,3-dihexylpentane-2,4-diol
CID 21414890
3-ethyl-3-methyloctane-2,4-diol
CID 57198922
2,4,4-trimethyloctan-3-ol
CID 57242612
3,3-dimethylnonan-2-ol
CID 19931299
3-methyl-3-propyloctan-2-ol
CID 20501793
3,3-dimethyldecan-2-ol
CID 87975868
benzoic acid;3-butyl-3-methylpentane-2,4-diol;dihydroxy(diphenyl)phosphanium
CID 175697667
3-methyl-3-propylhexan-2-ol
CID 20501676

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-propan-2-ylheptan-2-ol?
The IUPAC name of (3R)-3-methyl-3-propan-2-ylheptan-2-ol (CID 126716836) is (3R)-3-methyl-3-propan-2-ylheptan-2-ol.
What is the SMILES notation for (3R)-3-methyl-3-propan-2-ylheptan-2-ol?
The canonical SMILES for (3R)-3-methyl-3-propan-2-ylheptan-2-ol is CCCC[C@](C)(C(C)C)C(C)O.
What is the InChIKey of (3R)-3-methyl-3-propan-2-ylheptan-2-ol?
The InChIKey is ZJUPMELXGXBUKT-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-8-11(5,9(2)3)10(4)12/h9-10,12H,6-8H2,1-5H3/t10?,11-/m1/s1.
What are the key properties of (3R)-3-methyl-3-propan-2-ylheptan-2-ol?
(3R)-3-methyl-3-propan-2-ylheptan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-propan-2-ylheptan-2-ol is sourced from PubChem (CID 126716836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).