(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol

C25H32O — CID 122186590

IUPAC(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H32O/c1-20(8-6-10-21(2)16-17-26)9-7-11-22(3)18-23-14-15-24-12-4-5-13-25(24)19-23/h4-5,8,11-16,19,26H,6-7,9-10,17-18H2,1-3H3/b20-8+,21-16+,22-11+
InChIKeyYUSWOXUATYGWRX-IUEMXHTNSA-N
MW348.53 g/mol
LogP6.77
Rot. Bonds9

About (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol

(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol (PubChem CID 122186590) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol
PubChem CID122186590
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc2ccccc2c1
InChIInChI=1S/C25H32O/c1-20(8-6-10-21(2)16-17-26)9-7-11-22(3)18-23-14-15-24-12-4-5-13-25(24)19-23/h4-5,8,11-16,19,26H,6-7,9-10,17-18H2,1-3H3/b20-8+,21-16+,22-11+
InChIKeyYUSWOXUATYGWRX-IUEMXHTNSA-N
XLogP6.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol with MolForge

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Related Compounds

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CID 271336
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CID 44371691
(10E)-10-(naphthalen-2-ylmethylidene)cyclodeca-2,8-diyn-1-ol
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(2E,6E)-3,7-dimethyl-8-naphthalen-1-ylocta-2,6-dien-1-ol
CID 122186587
1,4-Dimethyl-5-octylnaphthalene
CID 41283
2-Decylnaphthalene
CID 518899
2-Hexylnaphthalene
CID 520390
2-Hexadecylnaphthalene
CID 12277389
(E)-1,2,3-Trimethyl-4-propenylnaphthalene
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Tetradecane, naphthalenediylbis-
CID 73555340

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol?
The IUPAC name of (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol (CID 122186590) is (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol?
The canonical SMILES for (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol?
The InChIKey is YUSWOXUATYGWRX-IUEMXHTNSA-N. The full InChI is InChI=1S/C25H32O/c1-20(8-6-10-21(2)16-17-26)9-7-11-22(3)18-23-14-15-24-12-4-5-13-25(24)19-23/h4-5,8,11-16,19,26H,6-7,9-10,17-18H2,1-3H3/b20-8+,21-16+,22-11+.
What are the key properties of (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol?
(2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol has a molecular weight of 348.53 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11-trimethyl-12-naphthalen-2-yldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 122186590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).