2-methyl-1-(6-methylheptoxy)propan-2-ol

C12H26O2 — CID 547838

IUPAC2-methyl-1-(6-methylheptoxy)propan-2-ol
SMILESCC(C)CCCCCOCC(C)(C)O
InChIInChI=1S/C12H26O2/c1-11(2)8-6-5-7-9-14-10-12(3,4)13/h11,13H,5-10H2,1-4H3
InChIKeyFCDIGZZSGXKMBB-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds8

About 2-methyl-1-(6-methylheptoxy)propan-2-ol

2-methyl-1-(6-methylheptoxy)propan-2-ol (PubChem CID 547838) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methyl-1-(6-methylheptoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(6-methylheptoxy)propan-2-ol
PubChem CID547838
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-methyl-1-(6-methylheptoxy)propan-2-ol
SMILESCC(C)CCCCCOCC(C)(C)O
InChIInChI=1S/C12H26O2/c1-11(2)8-6-5-7-9-14-10-12(3,4)13/h11,13H,5-10H2,1-4H3
InChIKeyFCDIGZZSGXKMBB-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylheptoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(6-methylheptoxy)propan-2-ol (CID 547838) is 2-methyl-1-(6-methylheptoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(6-methylheptoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(6-methylheptoxy)propan-2-ol is CC(C)CCCCCOCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(6-methylheptoxy)propan-2-ol?
The InChIKey is FCDIGZZSGXKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-11(2)8-6-5-7-9-14-10-12(3,4)13/h11,13H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-(6-methylheptoxy)propan-2-ol?
2-methyl-1-(6-methylheptoxy)propan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylheptoxy)propan-2-ol is sourced from PubChem (CID 547838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).