3-(3-methylbutan-2-yl)heptan-2-ol

C12H26O — CID 123642848

IUPAC3-(3-methylbutan-2-yl)heptan-2-ol
SMILESCCCCC(C(C)O)C(C)C(C)C
InChIInChI=1S/C12H26O/c1-6-7-8-12(11(5)13)10(4)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyNUNNLHORAGEGDI-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds6

About 3-(3-methylbutan-2-yl)heptan-2-ol

3-(3-methylbutan-2-yl)heptan-2-ol (PubChem CID 123642848) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)heptan-2-ol.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)heptan-2-ol
PubChem CID123642848
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-(3-methylbutan-2-yl)heptan-2-ol
SMILESCCCCC(C(C)O)C(C)C(C)C
InChIInChI=1S/C12H26O/c1-6-7-8-12(11(5)13)10(4)9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyNUNNLHORAGEGDI-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

hexan-2-ol;zirconium
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hexan-2-ol;pentan-2-ol
CID 88680973
(2S,3S)-1,1-difluoro-3-propan-2-ylheptan-2-ol
CID 122598663
benzene;hexan-2-ol
CID 174579547
2,3-dimethylundecan-4-ol
CID 115783082
alumane;2,3-dimethylheptane
CID 174508099
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252
(2R)-heptan-2-ol
CID 6992611
3-(2-butoxyethyl)-4-methylpentan-2-ol
CID 62914613
butane;ethane;3-methylheptan-2-ol
CID 176696047

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)heptan-2-ol?
The IUPAC name of 3-(3-methylbutan-2-yl)heptan-2-ol (CID 123642848) is 3-(3-methylbutan-2-yl)heptan-2-ol.
What is the SMILES notation for 3-(3-methylbutan-2-yl)heptan-2-ol?
The canonical SMILES for 3-(3-methylbutan-2-yl)heptan-2-ol is CCCCC(C(C)O)C(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-yl)heptan-2-ol?
The InChIKey is NUNNLHORAGEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-7-8-12(11(5)13)10(4)9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 3-(3-methylbutan-2-yl)heptan-2-ol?
3-(3-methylbutan-2-yl)heptan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)heptan-2-ol is sourced from PubChem (CID 123642848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).