6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol

C15H32O — CID 114865537

IUPAC6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
SMILESCCC(CC)CC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C15H32O/c1-7-14(8-2)11-15(16,9-12(3)4)10-13(5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyRDUGAVJCSKOYDV-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.64
Rot. Bonds8

About 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol

6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol (PubChem CID 114865537) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
PubChem CID114865537
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
SMILESCCC(CC)CC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C15H32O/c1-7-14(8-2)11-15(16,9-12(3)4)10-13(5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyRDUGAVJCSKOYDV-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diethylheptan-3-ol
CID 82929105
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 89360060
1,1,1-trifluoro-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865192
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275
4-(cyclopropylmethyl)-2,6-dimethylheptan-4-ol
CID 114865349
1-ethylsulfonyl-6-methyl-4-(2-methylpropyl)heptan-4-ol
CID 114865370
3-amino-5-methylhexan-3-ol
CID 19828897
4,6-diethylnonan-4-ol
CID 123321409
6-methyl-2-(2-methylpropyl)heptane-1,2-diol
CID 171442388
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
CID 114865146
4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 105402823
3-benzyl-5-methylhexan-3-ol
CID 79008448

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol?
The IUPAC name of 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol (CID 114865537) is 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol.
What is the SMILES notation for 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol?
The canonical SMILES for 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol is CCC(CC)CC(O)(CC(C)C)CC(C)C.
What is the InChIKey of 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol?
The InChIKey is RDUGAVJCSKOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-7-14(8-2)11-15(16,9-12(3)4)10-13(5)6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol?
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol has a molecular weight of 228.42 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol is sourced from PubChem (CID 114865537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).