1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene

C16H26 — CID 162772635

IUPAC1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene
SMILESCC(C)CCC(C)c1cccc(C(C)C)c1
InChIInChI=1S/C16H26/c1-12(2)9-10-14(5)16-8-6-7-15(11-16)13(3)4/h6-8,11-14H,9-10H2,1-5H3
InChIKeyKSXMVNPSRVJIPN-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.35
Rot. Bonds5

About 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene

1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene (PubChem CID 162772635) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene
PubChem CID162772635
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene
SMILESCC(C)CCC(C)c1cccc(C(C)C)c1
InChIInChI=1S/C16H26/c1-12(2)9-10-14(5)16-8-6-7-15(11-16)13(3)4/h6-8,11-14H,9-10H2,1-5H3
InChIKeyKSXMVNPSRVJIPN-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
dichloro-[2-(3-propan-2-ylphenyl)propyl]silane
CID 152763772
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
2-methyl-6-[5-(3-propan-2-ylphenyl)hexan-2-yl]piperidine
CID 166754054
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium dibromide
CID 21144
1,5-dimethyl-3-[5-(3-propan-2-ylphenyl)hexan-2-yl]indole
CID 155321987
(3-propan-2-ylphenyl) 3-methylbutane-1-sulfonate
CID 56549566
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
(2R)-4-methyl-2-(3-propan-2-ylphenyl)pentan-1-amine
CID 146290078
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene?
The IUPAC name of 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene (CID 162772635) is 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene?
The canonical SMILES for 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene is CC(C)CCC(C)c1cccc(C(C)C)c1.
What is the InChIKey of 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene?
The InChIKey is KSXMVNPSRVJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-12(2)9-10-14(5)16-8-6-7-15(11-16)13(3)4/h6-8,11-14H,9-10H2,1-5H3.
What are the key properties of 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene?
1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-3-propan-2-ylbenzene is sourced from PubChem (CID 162772635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).