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

C20H24O — CID 122186587

IUPAC(2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1cccc2ccccc12
InChIInChI=1S/C20H24O/c1-16(13-14-21)7-5-8-17(2)15-19-11-6-10-18-9-3-4-12-20(18)19/h3-4,6,8-13,21H,5,7,14-15H2,1-2H3/b16-13+,17-8+
InChIKeyQOJZZNOQCITTPA-WXUGCJNMSA-N
MW280.41 g/mol
LogP5.05
Rot. Bonds6

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

(2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol (PubChem CID 122186587) 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-1-ylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol
PubChem CID122186587
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name(2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1cccc2ccccc12
InChIInChI=1S/C20H24O/c1-16(13-14-21)7-5-8-17(2)15-19-11-6-10-18-9-3-4-12-20(18)19/h3-4,6,8-13,21H,5,7,14-15H2,1-2H3/b16-13+,17-8+
InChIKeyQOJZZNOQCITTPA-WXUGCJNMSA-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

1-Naphthalenemethanol
CID 20908
1,5-Diisopropylnaphthalene
CID 117971
Hexadecylnaphthalene
CID 91831
1-Octadecylnaphthalene
CID 91832
1-Nonylnaphthalene
CID 117797
Dodecylnaphthalene
CID 161973
Naphthalene, undecyl-
CID 300520
(2E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
CID 11816172
Naphthalene, eicosyl-
CID 14343960
Tetradecane, naphthalenyl-
CID 14402128
(2E,4E,6E)-7-(5,8-dimethylnaphthalen-2-yl)-3-methylocta-2,4,6-trienoic acid
CID 44371691
(2E,6E)-3,7-dimethyl-8-(3-methylphenyl)octa-2,6-dien-1-ol
CID 11746883

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol (CID 122186587) is (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)Cc1cccc2ccccc12.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol?
The InChIKey is QOJZZNOQCITTPA-WXUGCJNMSA-N. The full InChI is InChI=1S/C20H24O/c1-16(13-14-21)7-5-8-17(2)15-19-11-6-10-18-9-3-4-12-20(18)19/h3-4,6,8-13,21H,5,7,14-15H2,1-2H3/b16-13+,17-8+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-naphthalen-1-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-1-ylocta-2,6-dien-1-ol is sourced from PubChem (CID 122186587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).