2-ethenyl-3-methyl-8-phenyloctan-1-ol

C17H26O — CID 129208027

IUPAC2-ethenyl-3-methyl-8-phenyloctan-1-ol
SMILESC=CC(CO)C(C)CCCCCc1ccccc1
InChIInChI=1S/C17H26O/c1-3-17(14-18)15(2)10-6-4-7-11-16-12-8-5-9-13-16/h3,5,8-9,12-13,15,17-18H,1,4,6-7,10-11,14H2,2H3
InChIKeyYNPWIFGMCFIPDK-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.22
Rot. Bonds9

About 2-ethenyl-3-methyl-8-phenyloctan-1-ol

2-ethenyl-3-methyl-8-phenyloctan-1-ol (PubChem CID 129208027) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-8-phenyloctan-1-ol.

Molecular Properties

Compound Name2-ethenyl-3-methyl-8-phenyloctan-1-ol
PubChem CID129208027
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-ethenyl-3-methyl-8-phenyloctan-1-ol
SMILESC=CC(CO)C(C)CCCCCc1ccccc1
InChIInChI=1S/C17H26O/c1-3-17(14-18)15(2)10-6-4-7-11-16-12-8-5-9-13-16/h3,5,8-9,12-13,15,17-18H,1,4,6-7,10-11,14H2,2H3
InChIKeyYNPWIFGMCFIPDK-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-3-methyl-5-phenylpentan-1-ol
CID 129208620
4-methyl-8-phenyloctan-3-ol
CID 114334468
3-methyl-6-phenylhexan-2-ol
CID 54498182
15-phenylpentadecane-1,1-diol
CID 139927269
2-methyl-7-phenylheptan-3-ol
CID 10976646
5-methylheptylbenzene
CID 564254
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
3-ethenyl-6-phenylhexane-1,4-diol
CID 10513125

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-8-phenyloctan-1-ol?
The IUPAC name of 2-ethenyl-3-methyl-8-phenyloctan-1-ol (CID 129208027) is 2-ethenyl-3-methyl-8-phenyloctan-1-ol.
What is the SMILES notation for 2-ethenyl-3-methyl-8-phenyloctan-1-ol?
The canonical SMILES for 2-ethenyl-3-methyl-8-phenyloctan-1-ol is C=CC(CO)C(C)CCCCCc1ccccc1.
What is the InChIKey of 2-ethenyl-3-methyl-8-phenyloctan-1-ol?
The InChIKey is YNPWIFGMCFIPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-17(14-18)15(2)10-6-4-7-11-16-12-8-5-9-13-16/h3,5,8-9,12-13,15,17-18H,1,4,6-7,10-11,14H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-8-phenyloctan-1-ol?
2-ethenyl-3-methyl-8-phenyloctan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-8-phenyloctan-1-ol is sourced from PubChem (CID 129208027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).