(E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol

C19H28O3 — CID 22760101

IUPAC(E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol
SMILESCC/C(=C\CCc1ccc2c(c1)OCO2)CCCC(C)(C)O
InChIInChI=1S/C19H28O3/c1-4-15(9-6-12-19(2,3)20)7-5-8-16-10-11-17-18(13-16)22-14-21-17/h7,10-11,13,20H,4-6,8-9,12,14H2,1-3H3/b15-7+
InChIKeyGZBVHWQQLJJUKP-VIZOYTHASA-N
MW304.43 g/mol
LogP4.63
Rot. Bonds8

About (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol

(E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol (PubChem CID 22760101) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol.

Molecular Properties

Compound Name(E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol
PubChem CID22760101
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol
SMILESCC/C(=C\CCc1ccc2c(c1)OCO2)CCCC(C)(C)O
InChIInChI=1S/C19H28O3/c1-4-15(9-6-12-19(2,3)20)7-5-8-16-10-11-17-18(13-16)22-14-21-17/h7,10-11,13,20H,4-6,8-9,12,14H2,1-3H3/b15-7+
InChIKeyGZBVHWQQLJJUKP-VIZOYTHASA-N
XLogP4.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3R)-5-(1,3-benzodioxol-5-yl)-3-methylpent-1-yn-3-ol
CID 672503
ethyl 4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-methylbutanoate
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1-amino-3-(1,3-benzodioxol-5-yl)-2-methylpropan-2-ol
CID 82023642
1-(1,3-benzodioxol-5-yl)heptan-3-one
CID 167436498
3-(1,3-benzodioxol-5-yl)propan-1-ol;propanoic acid
CID 175171619
N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine
CID 171783070
4-(1,3-benzodioxol-5-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 24696093
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CID 529778
(2S)-5-(1,3-benzodioxol-5-yl)-2-methylpentan-1-ol
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14-(1,3-benzodioxol-5-yl)tetradecan-2-one
CID 11325048

Frequently Asked Questions

What is the IUPAC name of (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol?
The IUPAC name of (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol (CID 22760101) is (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol.
What is the SMILES notation for (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol?
The canonical SMILES for (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol is CC/C(=C\CCc1ccc2c(c1)OCO2)CCCC(C)(C)O.
What is the InChIKey of (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol?
The InChIKey is GZBVHWQQLJJUKP-VIZOYTHASA-N. The full InChI is InChI=1S/C19H28O3/c1-4-15(9-6-12-19(2,3)20)7-5-8-16-10-11-17-18(13-16)22-14-21-17/h7,10-11,13,20H,4-6,8-9,12,14H2,1-3H3/b15-7+.
What are the key properties of (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol?
(E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol has a molecular weight of 304.43 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-(1,3-benzodioxol-5-yl)-6-ethyl-2-methylnon-6-en-2-ol is sourced from PubChem (CID 22760101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).