2-methylheptan-2-ol

C8H18O — CID 12242

IUPAC2-methylheptan-2-ol
SMILESCCCCCC(C)(C)O
InChIInChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
InChIKeyACBMYYVZWKYLIP-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.34
Rot. Bonds4

About 2-methylheptan-2-ol

2-methylheptan-2-ol (PubChem CID 12242) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methylheptan-2-ol.

Molecular Properties

Compound Name2-methylheptan-2-ol
PubChem CID12242
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methylheptan-2-ol
SMILESCCCCCC(C)(C)O
InChIInChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
InChIKeyACBMYYVZWKYLIP-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tetrahydrolinalool
CID 6548
1-Methylcycloheptan-1-ol
CID 77376
2-Methylhexan-2-ol
CID 12240
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139
1-Methylcyclooctanol
CID 97178

Frequently Asked Questions

What is the IUPAC name of 2-methylheptan-2-ol?
The IUPAC name of 2-methylheptan-2-ol (CID 12242) is 2-methylheptan-2-ol.
What is the SMILES notation for 2-methylheptan-2-ol?
The canonical SMILES for 2-methylheptan-2-ol is CCCCCC(C)(C)O.
What is the InChIKey of 2-methylheptan-2-ol?
The InChIKey is ACBMYYVZWKYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3.
What are the key properties of 2-methylheptan-2-ol?
2-methylheptan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptan-2-ol is sourced from PubChem (CID 12242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).