(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol

C20H24O — CID 122186589

IUPAC(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H24O/c1-16(12-13-21)6-5-7-17(2)14-18-10-11-19-8-3-4-9-20(19)15-18/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3/b16-12+,17-7+
InChIKeyKCSRSKCDPUXSLM-ALUFRLKHSA-N
MW280.41 g/mol
LogP5.05
Rot. Bonds6

About (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol

(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol (PubChem CID 122186589) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol
PubChem CID122186589
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H24O/c1-16(12-13-21)6-5-7-17(2)14-18-10-11-19-8-3-4-9-20(19)15-18/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3/b16-12+,17-7+
InChIKeyKCSRSKCDPUXSLM-ALUFRLKHSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
CID 15380841
2-(2-methylprop-2-enyl)naphthalene
CID 24722193
6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E)-8-(2-benzylanilino)-3,7-dimethylocta-2,6-dien-1-ol
CID 102400491
(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
CID 174793032
(E)-2-methyl-5-naphthalen-2-ylpent-2-enal
CID 10704370
tripotassium;tris((E)-6-methyl-8-naphthalen-2-yl-1-phosphonooct-5-ene-1-sulfonate)
CID 139646050
diethyl 2-(3-naphthalen-2-ylpropyl)-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)propanedioate
CID 139782913
[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienyl] benzoate
CID 11265797
N-methoxy-1-naphthalen-2-ylpropan-2-imine
CID 141312226

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol (CID 122186589) is (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol?
The InChIKey is KCSRSKCDPUXSLM-ALUFRLKHSA-N. The full InChI is InChI=1S/C20H24O/c1-16(12-13-21)6-5-7-17(2)14-18-10-11-19-8-3-4-9-20(19)15-18/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3/b16-12+,17-7+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol has a molecular weight of 280.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol is sourced from PubChem (CID 122186589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).