1-hexan-2-yl-4-propan-2-ylbenzene

C15H24 — CID 139769010

IUPAC1-hexan-2-yl-4-propan-2-ylbenzene
SMILESCCCCC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24/c1-5-6-7-13(4)15-10-8-14(9-11-15)12(2)3/h8-13H,5-7H2,1-4H3
InChIKeySSFDHKKOUIMBPC-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.10
Rot. Bonds5

About 1-hexan-2-yl-4-propan-2-ylbenzene

1-hexan-2-yl-4-propan-2-ylbenzene (PubChem CID 139769010) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-hexan-2-yl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-hexan-2-yl-4-propan-2-ylbenzene
PubChem CID139769010
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-hexan-2-yl-4-propan-2-ylbenzene
SMILESCCCCC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24/c1-5-6-7-13(4)15-10-8-14(9-11-15)12(2)3/h8-13H,5-7H2,1-4H3
InChIKeySSFDHKKOUIMBPC-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-hexan-2-ylphenol
CID 12579179
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
4-docosan-2-ylaniline
CID 22757336
1-hexan-2-yl-4-phenylbenzene
CID 57161678
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
(4-hexan-2-ylphenyl)boronic acid
CID 178076965
1-hexan-2-yl-4-nitrobenzene
CID 57119541
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
5-(4-propan-2-ylphenyl)hexan-2-amine
CID 83939090
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
4-(4-butylphenyl)pentan-1-amine
CID 82286120

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-4-propan-2-ylbenzene?
The IUPAC name of 1-hexan-2-yl-4-propan-2-ylbenzene (CID 139769010) is 1-hexan-2-yl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-hexan-2-yl-4-propan-2-ylbenzene?
The canonical SMILES for 1-hexan-2-yl-4-propan-2-ylbenzene is CCCCC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-hexan-2-yl-4-propan-2-ylbenzene?
The InChIKey is SSFDHKKOUIMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-6-7-13(4)15-10-8-14(9-11-15)12(2)3/h8-13H,5-7H2,1-4H3.
What are the key properties of 1-hexan-2-yl-4-propan-2-ylbenzene?
1-hexan-2-yl-4-propan-2-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-4-propan-2-ylbenzene is sourced from PubChem (CID 139769010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).