7-methyl-5-propan-2-yloctan-1-ol

C12H26O — CID 143448333

IUPAC7-methyl-5-propan-2-yloctan-1-ol
SMILESCC(C)CC(CCCCO)C(C)C
InChIInChI=1S/C12H26O/c1-10(2)9-12(11(3)4)7-5-6-8-13/h10-13H,5-9H2,1-4H3
InChIKeyIVGDBRNJQWCGQP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds7

About 7-methyl-5-propan-2-yloctan-1-ol

7-methyl-5-propan-2-yloctan-1-ol (PubChem CID 143448333) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 7-methyl-5-propan-2-yloctan-1-ol.

Molecular Properties

Compound Name7-methyl-5-propan-2-yloctan-1-ol
PubChem CID143448333
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name7-methyl-5-propan-2-yloctan-1-ol
SMILESCC(C)CC(CCCCO)C(C)C
InChIInChI=1S/C12H26O/c1-10(2)9-12(11(3)4)7-5-6-8-13/h10-13H,5-9H2,1-4H3
InChIKeyIVGDBRNJQWCGQP-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
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

2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
5-ethyl-6-methylheptan-1-ol
CID 91402591
2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
CID 158451501
4-ethyl-5-methylhexan-1-ol
CID 87192920
CID 172760633
CID 172760633
16-methylheptadecan-1-ol;titanium
CID 151630620
2-methyl-4-propan-2-ylheptane
CID 21201044
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
alumane;6-methylheptan-1-ol
CID 174615736
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388
sodium;hydride;8-methylnonan-1-ol
CID 175362951
7,8-dimethylnonan-1-ol
CID 87272618

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-propan-2-yloctan-1-ol?
The IUPAC name of 7-methyl-5-propan-2-yloctan-1-ol (CID 143448333) is 7-methyl-5-propan-2-yloctan-1-ol.
What is the SMILES notation for 7-methyl-5-propan-2-yloctan-1-ol?
The canonical SMILES for 7-methyl-5-propan-2-yloctan-1-ol is CC(C)CC(CCCCO)C(C)C.
What is the InChIKey of 7-methyl-5-propan-2-yloctan-1-ol?
The InChIKey is IVGDBRNJQWCGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-10(2)9-12(11(3)4)7-5-6-8-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 7-methyl-5-propan-2-yloctan-1-ol?
7-methyl-5-propan-2-yloctan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-propan-2-yloctan-1-ol is sourced from PubChem (CID 143448333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).