(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol

C17H28O — CID 126614779

IUPAC(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol
SMILESCCC(C[C@H](C)c1ccc(C)cc1)CC(C)(C)O
InChIInChI=1S/C17H28O/c1-6-15(12-17(4,5)18)11-14(3)16-9-7-13(2)8-10-16/h7-10,14-15,18H,6,11-12H2,1-5H3/t14-,15?/m0/s1
InChIKeyIKEBJKXEWAEFAP-MLCCFXAWSA-N
MW248.41 g/mol
LogP4.68
Rot. Bonds6

About (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol

(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol (PubChem CID 126614779) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol.

Molecular Properties

Compound Name(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol
PubChem CID126614779
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol
SMILESCCC(C[C@H](C)c1ccc(C)cc1)CC(C)(C)O
InChIInChI=1S/C17H28O/c1-6-15(12-17(4,5)18)11-14(3)16-9-7-13(2)8-10-16/h7-10,14-15,18H,6,11-12H2,1-5H3/t14-,15?/m0/s1
InChIKeyIKEBJKXEWAEFAP-MLCCFXAWSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(4-methylphenyl)pentan-2-ol
CID 11041610
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid
CID 155645520
2-(4-methylphenyl)octane-4,5-diol
CID 83930905
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
N,2-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 164863400
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
CID 162868571
1-(5,5-dimethylhexan-3-yl)-4-[4-(2,2-dimethylpropyl)-6-ethylnonan-2-yl]benzene
CID 144745930

Frequently Asked Questions

What is the IUPAC name of (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol?
The IUPAC name of (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol (CID 126614779) is (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol.
What is the SMILES notation for (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol?
The canonical SMILES for (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol is CCC(C[C@H](C)c1ccc(C)cc1)CC(C)(C)O.
What is the InChIKey of (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol?
The InChIKey is IKEBJKXEWAEFAP-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H28O/c1-6-15(12-17(4,5)18)11-14(3)16-9-7-13(2)8-10-16/h7-10,14-15,18H,6,11-12H2,1-5H3/t14-,15?/m0/s1.
What are the key properties of (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol?
(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol has a molecular weight of 248.41 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol is sourced from PubChem (CID 126614779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).