2,3-dimethylpentane;hexan-3-ol

C13H30O — CID 143653257

IUPAC2,3-dimethylpentane;hexan-3-ol
SMILESCCC(C)C(C)C.CCCC(O)CC
InChIInChI=1S/C7H16.C6H14O/c1-5-7(4)6(2)3;1-3-5-6(7)4-2/h6-7H,5H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyHCCFCPIWNPYNRL-UHFFFAOYSA-N
MW202.38 g/mol
LogP4.25
Rot. Bonds5

About 2,3-dimethylpentane;hexan-3-ol

2,3-dimethylpentane;hexan-3-ol (PubChem CID 143653257) has the molecular formula C13H30O and a molecular weight of 202.38 g/mol. Its IUPAC name is 2,3-dimethylpentane;hexan-3-ol.

Molecular Properties

Compound Name2,3-dimethylpentane;hexan-3-ol
PubChem CID143653257
Molecular FormulaC13H30O
Molecular Weight202.38 g/mol
Exact Mass202.23
IUPAC Name2,3-dimethylpentane;hexan-3-ol
SMILESCCC(C)C(C)C.CCCC(O)CC
InChIInChI=1S/C7H16.C6H14O/c1-5-7(4)6(2)3;1-3-5-6(7)4-2/h6-7H,5H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyHCCFCPIWNPYNRL-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

hexan-3-ol
CID 12178
hexan-3-ol;λ2-plumbane
CID 174675580
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
3-methylheptan-4-ylphosphane
CID 178108210
octane-3,5-diol;scandium
CID 164810284
tetradecane-3,6,9,12-tetrol
CID 57081340
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
undecane-3,6,9-triol
CID 57025994
2,3-dimethylpentane;ethane;methane
CID 143379754
3-methylnonan-4-ol;nonan-4-ol
CID 18968461
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
hexan-3-ol;thiophene
CID 174528278

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane;hexan-3-ol?
The IUPAC name of 2,3-dimethylpentane;hexan-3-ol (CID 143653257) is 2,3-dimethylpentane;hexan-3-ol.
What is the SMILES notation for 2,3-dimethylpentane;hexan-3-ol?
The canonical SMILES for 2,3-dimethylpentane;hexan-3-ol is CCC(C)C(C)C.CCCC(O)CC.
What is the InChIKey of 2,3-dimethylpentane;hexan-3-ol?
The InChIKey is HCCFCPIWNPYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14O/c1-5-7(4)6(2)3;1-3-5-6(7)4-2/h6-7H,5H2,1-4H3;6-7H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylpentane;hexan-3-ol?
2,3-dimethylpentane;hexan-3-ol has a molecular weight of 202.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane;hexan-3-ol is sourced from PubChem (CID 143653257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).