1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene

C17H26 — CID 163568299

IUPAC1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene
SMILESC=CCC(c1ccc(C(C)C)cc1)C(C)(C)C
InChIInChI=1S/C17H26/c1-7-8-16(17(4,5)6)15-11-9-14(10-12-15)13(2)3/h7,9-13,16H,1,8H2,2-6H3
InChIKeyUOERITUVPGWFFS-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.52
Rot. Bonds4

About 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene

1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene (PubChem CID 163568299) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene
PubChem CID163568299
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene
SMILESC=CCC(c1ccc(C(C)C)cc1)C(C)(C)C
InChIInChI=1S/C17H26/c1-7-8-16(17(4,5)6)15-11-9-14(10-12-15)13(2)3/h7,9-13,16H,1,8H2,2-6H3
InChIKeyUOERITUVPGWFFS-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 144677187
1-(4-propan-2-ylphenyl)pent-4-en-2-ol
CID 116659906
1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
CID 143199610
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
1-(4-tert-butylphenyl)but-3-en-1-amine
CID 112693451
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
2-methyl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-ol
CID 102641912
(1R)-1-(4-tert-butylphenyl)but-3-en-1-amine;hydrochloride
CID 171201850
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
CID 82719677
1-methyl-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 91000681

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene (CID 163568299) is 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene is C=CCC(c1ccc(C(C)C)cc1)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene?
The InChIKey is UOERITUVPGWFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-7-8-16(17(4,5)6)15-11-9-14(10-12-15)13(2)3/h7,9-13,16H,1,8H2,2-6H3.
What are the key properties of 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene?
1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene has a molecular weight of 230.39 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylhex-5-en-3-yl)-4-propan-2-ylbenzene is sourced from PubChem (CID 163568299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).