3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol

C21H34O2 — CID 54102776

IUPAC3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol
SMILESCCC(=CCOc1ccc(CC)cc1)CCCC(O)(CC)CC
InChIInChI=1S/C21H34O2/c1-5-18(10-9-16-21(22,7-3)8-4)15-17-23-20-13-11-19(6-2)12-14-20/h11-15,22H,5-10,16-17H2,1-4H3
InChIKeyNBRDINMFQVZOBV-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.69
Rot. Bonds11

About 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol

3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol (PubChem CID 54102776) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol.

Molecular Properties

Compound Name3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol
PubChem CID54102776
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol
SMILESCCC(=CCOc1ccc(CC)cc1)CCCC(O)(CC)CC
InChIInChI=1S/C21H34O2/c1-5-18(10-9-16-21(22,7-3)8-4)15-17-23-20-13-11-19(6-2)12-14-20/h11-15,22H,5-10,16-17H2,1-4H3
InChIKeyNBRDINMFQVZOBV-UHFFFAOYSA-N
XLogP5.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pent-3-enyl]-2-methyloxirane
CID 54049605
2-ethyl-4-(4-ethylphenoxy)but-2-enoic acid
CID 77100433
1-[(E)-3,7-dimethyl-7-propoxyoct-2-enoxy]-4-ethylbenzene
CID 5383800
1-(7-butoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
CID 54240615
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
1-chloro-4-[(2E)-7,7-dichloro-3-ethylhepta-2,6-dienoxy]benzene
CID 21489607
1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
2-[(E)-5-(4-ethylphenoxy)-3-methylpent-3-enyl]-2,3,3-trimethyloxirane
CID 21487647
2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol
CID 141387799
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
(Z)-2-ethyl-4-[4-(2-oxopropyl)phenoxy]but-2-enoic acid
CID 113322820

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol?
The IUPAC name of 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol (CID 54102776) is 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol.
What is the SMILES notation for 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol?
The canonical SMILES for 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol is CCC(=CCOc1ccc(CC)cc1)CCCC(O)(CC)CC.
What is the InChIKey of 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol?
The InChIKey is NBRDINMFQVZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-5-18(10-9-16-21(22,7-3)8-4)15-17-23-20-13-11-19(6-2)12-14-20/h11-15,22H,5-10,16-17H2,1-4H3.
What are the key properties of 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol?
3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol has a molecular weight of 318.50 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-9-(4-ethylphenoxy)non-7-en-3-ol is sourced from PubChem (CID 54102776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).