1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene

C15H24 — CID 142349807

IUPAC1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
SMILESCCC[C@H](c1ccc(C)cc1)C(C)CC
InChIInChI=1S/C15H24/c1-5-7-15(13(4)6-2)14-10-8-12(3)9-11-14/h8-11,13,15H,5-7H2,1-4H3/t13?,15-/m0/s1
InChIKeyBRNKEFGMQPJSDP-WUJWULDRSA-N
MW204.36 g/mol
LogP4.92
Rot. Bonds5

About 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene

1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene (PubChem CID 142349807) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
PubChem CID142349807
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
SMILESCCC[C@H](c1ccc(C)cc1)C(C)CC
InChIInChI=1S/C15H24/c1-5-7-15(13(4)6-2)14-10-8-12(3)9-11-14/h8-11,13,15H,5-7H2,1-4H3/t13?,15-/m0/s1
InChIKeyBRNKEFGMQPJSDP-WUJWULDRSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-methylheptan-4-yl)phenol
CID 123454111
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
2-fluoro-5-[(4S)-3-methylheptan-4-yl]benzoic acid
CID 145191863
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene?
The IUPAC name of 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene (CID 142349807) is 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene?
The canonical SMILES for 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene is CCC[C@H](c1ccc(C)cc1)C(C)CC.
What is the InChIKey of 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene?
The InChIKey is BRNKEFGMQPJSDP-WUJWULDRSA-N. The full InChI is InChI=1S/C15H24/c1-5-7-15(13(4)6-2)14-10-8-12(3)9-11-14/h8-11,13,15H,5-7H2,1-4H3/t13?,15-/m0/s1.
What are the key properties of 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene?
1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene has a molecular weight of 204.36 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene is sourced from PubChem (CID 142349807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).