(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol

C12H26O — CID 126694486

IUPAC(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol
SMILESCCCC[C@](C)(C(C)CC)[C@@H](C)O
InChIInChI=1S/C12H26O/c1-6-8-9-12(5,11(4)13)10(3)7-2/h10-11,13H,6-9H2,1-5H3/t10?,11-,12-/m1/s1
InChIKeyBZWJFFMBSWLQAM-PQDIPPBSSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds6

About (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol

(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol (PubChem CID 126694486) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol
PubChem CID126694486
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol
SMILESCCCC[C@](C)(C(C)CC)[C@@H](C)O
InChIInChI=1S/C12H26O/c1-6-8-9-12(5,11(4)13)10(3)7-2/h10-11,13H,6-9H2,1-5H3/t10?,11-,12-/m1/s1
InChIKeyBZWJFFMBSWLQAM-PQDIPPBSSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
5-butan-2-yl-5-methylnonan-3-ol
CID 91506526
3-butylheptane-2,3-diol
CID 11008688
3,3-dihexylpentane-2,4-diol
CID 21414890
3-ethyl-3-methyloctane-2,4-diol
CID 57198922
3,3-dimethyldecan-2-ol
CID 87975868
2,4,4-trimethyloctan-3-ol
CID 57242612
3,3-dimethylnonan-2-ol
CID 19931299
3-methyl-3-propyloctan-2-ol
CID 20501793
benzoic acid;3-butyl-3-methylpentane-2,4-diol;dihydroxy(diphenyl)phosphanium
CID 175697667
3-methyl-3-propylhexan-2-ol
CID 20501676
4,4-dimethylhexadecan-3-ol
CID 168719984

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol?
The IUPAC name of (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol (CID 126694486) is (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol.
What is the SMILES notation for (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol?
The canonical SMILES for (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol is CCCC[C@](C)(C(C)CC)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol?
The InChIKey is BZWJFFMBSWLQAM-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H26O/c1-6-8-9-12(5,11(4)13)10(3)7-2/h10-11,13H,6-9H2,1-5H3/t10?,11-,12-/m1/s1.
What are the key properties of (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol?
(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-butan-2-yl-3-methylheptan-2-ol is sourced from PubChem (CID 126694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).