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

C16H22O — CID 15380841

IUPAC(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1ccccc1
InChIInChI=1S/C16H22O/c1-14(11-12-17)7-6-8-15(2)13-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3/b14-11+,15-8+
InChIKeyGMPPUWZTZSUDPV-GGQZXFEVSA-N
MW230.35 g/mol
LogP3.89
Rot. Bonds6

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

(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol (PubChem CID 15380841) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
PubChem CID15380841
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)Cc1ccccc1
InChIInChI=1S/C16H22O/c1-14(11-12-17)7-6-8-15(2)13-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3/b14-11+,15-8+
InChIKeyGMPPUWZTZSUDPV-GGQZXFEVSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.89
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,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
CID 53310712
6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532
(2E,6E)-3,7-dimethyl-8-naphthalen-2-ylocta-2,6-dien-1-ol
CID 122186589
(2E,6E)-8-(2-benzylanilino)-3,7-dimethylocta-2,6-dien-1-ol
CID 102400491
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
CID 163985565
benzyl acetate;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 67892441
[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienyl] benzoate
CID 11265797
(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
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
[(E)-2-methyl-4-[[(E)-3-methyl-4-phenylbut-2-enyl]disulfanyl]but-2-enyl]benzene
CID 11233551

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol (CID 15380841) is (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)Cc1ccccc1.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol?
The InChIKey is GMPPUWZTZSUDPV-GGQZXFEVSA-N. The full InChI is InChI=1S/C16H22O/c1-14(11-12-17)7-6-8-15(2)13-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3/b14-11+,15-8+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.89, 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-phenylocta-2,6-dien-1-ol is sourced from PubChem (CID 15380841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).