1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene

C17H20 — CID 102034582

IUPAC1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene
SMILESC/C(=C/Cc1cccc2ccccc12)C(C)C
InChIInChI=1S/C17H20/c1-13(2)14(3)11-12-16-9-6-8-15-7-4-5-10-17(15)16/h4-11,13H,12H2,1-3H3/b14-11-
InChIKeyDPSQZBYXGCSXIX-KAMYIIQDSA-N
MW224.35 g/mol
LogP4.98
Rot. Bonds3

About 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene

1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene (PubChem CID 102034582) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene.

Molecular Properties

Compound Name1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene
PubChem CID102034582
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene
SMILESC/C(=C/Cc1cccc2ccccc12)C(C)C
InChIInChI=1S/C17H20/c1-13(2)14(3)11-12-16-9-6-8-15-7-4-5-10-17(15)16/h4-11,13H,12H2,1-3H3/b14-11-
InChIKeyDPSQZBYXGCSXIX-KAMYIIQDSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.98
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

2-methyl-4-naphthalen-1-ylbut-2-enamide
CID 67637200
2-naphthalen-1-ylacetaldehyde
CID 12570786
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
5-methyl-6-naphthalen-1-ylhex-4-en-2-one
CID 90716108
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
sodium;1-ethylnaphthalene;hydride
CID 174300793
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
1-(2-chloropropyl)naphthalene
CID 12809422
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 122547209

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene?
The IUPAC name of 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene (CID 102034582) is 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene.
What is the SMILES notation for 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene?
The canonical SMILES for 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene is C/C(=C/Cc1cccc2ccccc12)C(C)C.
What is the InChIKey of 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene?
The InChIKey is DPSQZBYXGCSXIX-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H20/c1-13(2)14(3)11-12-16-9-6-8-15-7-4-5-10-17(15)16/h4-11,13H,12H2,1-3H3/b14-11-.
What are the key properties of 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene?
1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene has a molecular weight of 224.35 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,4-dimethylpent-2-enyl]naphthalene is sourced from PubChem (CID 102034582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).