2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene

C25H28 — CID 142975570

IUPAC2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
SMILESC=C(C)C/C=C(\C)c1ccc2ccccc2c1.Cc1ccc(C)cc1
InChIInChI=1S/C17H18.C8H10/c1-13(2)8-9-14(3)16-11-10-15-6-4-5-7-17(15)12-16;1-7-3-5-8(2)6-4-7/h4-7,9-12H,1,8H2,2-3H3;3-6H,1-2H3/b14-9+;
InChIKeyLCCQZHQRTHCERX-KYIGKLDSSA-N
MW328.50 g/mol
LogP7.51
Rot. Bonds3

About 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene

2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene (PubChem CID 142975570) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene.

Molecular Properties

Compound Name2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
PubChem CID142975570
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
SMILESC=C(C)C/C=C(\C)c1ccc2ccccc2c1.Cc1ccc(C)cc1
InChIInChI=1S/C17H18.C8H10/c1-13(2)8-9-14(3)16-11-10-15-6-4-5-7-17(15)12-16;1-7-3-5-8(2)6-4-7/h4-7,9-12H,1,8H2,2-3H3;3-6H,1-2H3/b14-9+;
InChIKeyLCCQZHQRTHCERX-KYIGKLDSSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.51
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

(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
2-[1-[(Z)-1-(4-methylphenyl)prop-1-enyl]sulfanylethenyl]naphthalene
CID 89227184
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
2-[(2Z,8E)-undeca-2,8-dien-2-yl]naphthalene
CID 172611470
2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
CID 172611459
(1,4-dimethylcyclohexa-2,4-dien-1-yl)phosphane;1-methyl-4-[(2E)-5-methylhexa-2,5-dien-2-yl]benzene
CID 142975654
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid
CID 67581402
2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
CID 25033772

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene?
The IUPAC name of 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene (CID 142975570) is 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene.
What is the SMILES notation for 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene?
The canonical SMILES for 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene is C=C(C)C/C=C(\C)c1ccc2ccccc2c1.Cc1ccc(C)cc1.
What is the InChIKey of 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene?
The InChIKey is LCCQZHQRTHCERX-KYIGKLDSSA-N. The full InChI is InChI=1S/C17H18.C8H10/c1-13(2)8-9-14(3)16-11-10-15-6-4-5-7-17(15)12-16;1-7-3-5-8(2)6-4-7/h4-7,9-12H,1,8H2,2-3H3;3-6H,1-2H3/b14-9+;.
What are the key properties of 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene?
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene has a molecular weight of 328.50 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene is sourced from PubChem (CID 142975570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).