5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol

C14H30O — CID 23315884

IUPAC5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol
SMILESCC(C)C(C)CCC(CO)C(C)C(C)C
InChIInChI=1S/C14H30O/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h10-15H,7-9H2,1-6H3
InChIKeyZTGRBEOQCFKNNI-UHFFFAOYSA-N
MW214.39 g/mol
LogP3.96
Rot. Bonds7

About 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol

5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol (PubChem CID 23315884) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol
PubChem CID23315884
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol
SMILESCC(C)C(C)CCC(CO)C(C)C(C)C
InChIInChI=1S/C14H30O/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h10-15H,7-9H2,1-6H3
InChIKeyZTGRBEOQCFKNNI-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23315972
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7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
7,8-dimethylnonan-1-ol
CID 87272618
10,11-dimethyldodecan-1-ol
CID 174615495
2,3-dimethylbutan-1-ol;ethane;fluoromethane
CID 143378168
1,1-difluoro-4,5-dimethylhexane
CID 137419857
(2S,5R)-5-methyl-2-propan-2-ylhept-6-en-1-ol
CID 14606279
(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 122598637
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
CID 115252113

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol?
The IUPAC name of 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol (CID 23315884) is 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol.
What is the SMILES notation for 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol?
The canonical SMILES for 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol is CC(C)C(C)CCC(CO)C(C)C(C)C.
What is the InChIKey of 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol?
The InChIKey is ZTGRBEOQCFKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-10(2)12(5)7-8-14(9-15)13(6)11(3)4/h10-15H,7-9H2,1-6H3.
What are the key properties of 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol?
5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-methylbutan-2-yl)heptan-1-ol is sourced from PubChem (CID 23315884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).