2-methyl-3-propan-2-yloctan-3-ol

C12H26O — CID 122384580

IUPAC2-methyl-3-propan-2-yloctan-3-ol
SMILESCCCCCC(O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O/c1-6-7-8-9-12(13,10(2)3)11(4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyCMTSLQJBGCGREN-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds6

About 2-methyl-3-propan-2-yloctan-3-ol

2-methyl-3-propan-2-yloctan-3-ol (PubChem CID 122384580) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloctan-3-ol.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloctan-3-ol
PubChem CID122384580
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-methyl-3-propan-2-yloctan-3-ol
SMILESCCCCCC(O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O/c1-6-7-8-9-12(13,10(2)3)11(4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyCMTSLQJBGCGREN-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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
p-MENTHAN-8-OL
CID 10353
1-Methylcycloheptan-1-ol
CID 77376
2-Methyl-2-heptanol
CID 12242
p-Menthan-1-ol
CID 89437
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
p-Menthan-4-ol
CID 574674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yloctan-3-ol?
The IUPAC name of 2-methyl-3-propan-2-yloctan-3-ol (CID 122384580) is 2-methyl-3-propan-2-yloctan-3-ol.
What is the SMILES notation for 2-methyl-3-propan-2-yloctan-3-ol?
The canonical SMILES for 2-methyl-3-propan-2-yloctan-3-ol is CCCCCC(O)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-yloctan-3-ol?
The InChIKey is CMTSLQJBGCGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-7-8-9-12(13,10(2)3)11(4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2-methyl-3-propan-2-yloctan-3-ol?
2-methyl-3-propan-2-yloctan-3-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloctan-3-ol is sourced from PubChem (CID 122384580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).