(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol

C16H28O2 — CID 101236693

IUPAC(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol
SMILESCC/C(=C\CO)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C16H28O2/c1-5-14(11-12-17)8-6-7-13(2)9-10-15-16(3,4)18-15/h7,11,15,17H,5-6,8-10,12H2,1-4H3/b13-7+,14-11+
InChIKeyBXUCEXAIABUYPR-FYCHQBGDSA-N
MW252.40 g/mol
LogP4.00
Rot. Bonds8

About (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol

(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol (PubChem CID 101236693) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol
PubChem CID101236693
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol
SMILESCC/C(=C\CO)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C16H28O2/c1-5-14(11-12-17)8-6-7-13(2)9-10-15-16(3,4)18-15/h7,11,15,17H,5-6,8-10,12H2,1-4H3/b13-7+,14-11+
InChIKeyBXUCEXAIABUYPR-FYCHQBGDSA-N
XLogP4.00
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol with MolForge

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Related Compounds

(3S)-3-[(3E,7E,11E,15E)-12-ethyl-3,7,16,20-tetramethylhenicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyloxirane
CID 102315854
(2E,6E,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-3,11-dimethyl-7-(trimethylsilylmethyl)trideca-2,6,10-trien-1-ol
CID 10068249
(5E,9E)-12-[(2R)-3,3-dimethyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-one
CID 6446781
3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 168749328
(3S)-3-[(3E,7E,11E)-13-bromo-3,7,11-trimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane
CID 11783576
3-(4,8-dimethylnona-3,7-dienyl)-2,2-dimethyloxirane
CID 162821747
2,2-dimethyl-3-[(3Z)-3-methyl-7-methylidenenona-3,8-dienyl]oxirane
CID 102406914
(3E)-10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienenitrile
CID 135009471
(3S)-3-[(3E,7E,11E,13E,15E,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,19,23,27-octaenyl]-2,2-dimethyloxirane
CID 163021444
(4E,8E)-11-[(2S)-3,3-dimethyloxiran-2-yl]-5,9-dimethylundeca-4,8-dienenitrile
CID 155935115
2-[(3E,7E)-10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 11393106
2-[10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 72829604

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol (CID 101236693) is (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol is CC/C(=C\CO)CC/C=C(\C)CCC1OC1(C)C.
What is the InChIKey of (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol?
The InChIKey is BXUCEXAIABUYPR-FYCHQBGDSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-14(11-12-17)8-6-7-13(2)9-10-15-16(3,4)18-15/h7,11,15,17H,5-6,8-10,12H2,1-4H3/b13-7+,14-11+.
What are the key properties of (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol?
(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol has a molecular weight of 252.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3-ethyl-7-methylnona-2,6-dien-1-ol is sourced from PubChem (CID 101236693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).