3,3-dimethylnon-1-enylbenzene

C17H26 — CID 173227599

IUPAC3,3-dimethylnon-1-enylbenzene
SMILESCCCCCCC(C)(C)C=Cc1ccccc1
InChIInChI=1S/C17H26/c1-4-5-6-10-14-17(2,3)15-13-16-11-8-7-9-12-16/h7-9,11-13,15H,4-6,10,14H2,1-3H3
InChIKeyCTZWQCRWQRDLLT-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.70
Rot. Bonds7

About 3,3-dimethylnon-1-enylbenzene

3,3-dimethylnon-1-enylbenzene (PubChem CID 173227599) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 3,3-dimethylnon-1-enylbenzene.

Molecular Properties

Compound Name3,3-dimethylnon-1-enylbenzene
PubChem CID173227599
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name3,3-dimethylnon-1-enylbenzene
SMILESCCCCCCC(C)(C)C=Cc1ccccc1
InChIInChI=1S/C17H26/c1-4-5-6-10-14-17(2,3)15-13-16-11-8-7-9-12-16/h7-9,11-13,15H,4-6,10,14H2,1-3H3
InChIKeyCTZWQCRWQRDLLT-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-3-methyldodec-1-enyl)benzene
CID 152539606
6-[(E)-2-phenylethenyl]undecan-6-ol
CID 16664378
2-methylnonan-2-yl(2-phenylethenyl)silane
CID 173268172
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722796
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722692
2-methyl-N-(2-methylnonan-2-yl)-N-[(E)-3-phenylprop-2-enyl]nonan-2-amine
CID 139723503
[(E)-octadec-1-enyl]benzene
CID 22722345
pentan-1-ol;(E)-stilbene
CID 172553874
1-phenylundec-1-en-3-one
CID 3805572
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
4-methyl-N-[4-[3-methyl-1-[4-[2-[4-(4-methyl-N-[4-(5-methyl-1-phenyldeca-1,3-dien-5-yl)phenyl]anilino)phenyl]ethenyl]phenyl]non-1-en-3-yl]phenyl]-N-[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 89345012
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylnon-1-enylbenzene?
The IUPAC name of 3,3-dimethylnon-1-enylbenzene (CID 173227599) is 3,3-dimethylnon-1-enylbenzene.
What is the SMILES notation for 3,3-dimethylnon-1-enylbenzene?
The canonical SMILES for 3,3-dimethylnon-1-enylbenzene is CCCCCCC(C)(C)C=Cc1ccccc1.
What is the InChIKey of 3,3-dimethylnon-1-enylbenzene?
The InChIKey is CTZWQCRWQRDLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-5-6-10-14-17(2,3)15-13-16-11-8-7-9-12-16/h7-9,11-13,15H,4-6,10,14H2,1-3H3.
What are the key properties of 3,3-dimethylnon-1-enylbenzene?
3,3-dimethylnon-1-enylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylnon-1-enylbenzene is sourced from PubChem (CID 173227599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).