(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol

C13H22O2 — CID 139497248

IUPAC(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol
SMILESCC/C(C=CC(C)O)=C/C(C)=C(\C)OC
InChIInChI=1S/C13H22O2/c1-6-13(8-7-11(3)14)9-10(2)12(4)15-5/h7-9,11,14H,6H2,1-5H3/b8-7?,12-10+,13-9-
InChIKeyCDGCGESIIATGRH-WEDVVETLSA-N
MW210.32 g/mol
LogP3.20
Rot. Bonds5

About (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol

(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol (PubChem CID 139497248) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol
PubChem CID139497248
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol
SMILESCC/C(C=CC(C)O)=C/C(C)=C(\C)OC
InChIInChI=1S/C13H22O2/c1-6-13(8-7-11(3)14)9-10(2)12(4)15-5/h7-9,11,14H,6H2,1-5H3/b8-7?,12-10+,13-9-
InChIKeyCDGCGESIIATGRH-WEDVVETLSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-3-ethyl-6-methoxyhepta-2,4-diene
CID 143089763
(2E,4Z)-2-methoxy-5-methyl-3-propan-2-ylhepta-2,4-diene
CID 143103707
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
(E,5S)-5-hydroxyhex-3-en-2-one
CID 10678210
ethyl (2E,4E)-3-ethoxy-6-hydroxyhepta-2,4-dienoate
CID 11074755
(1Z,3E,5E)-3-ethyl-1-methoxy-5-methylhepta-1,3,5-triene
CID 100961260
N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
CID 166874510
(2Z,4Z,7Z)-3-ethyl-6-methylnona-2,4,7-triene
CID 143683617
6-tert-butyl-5-ethenyl-2-methoxy-3,8,8-trimethylnona-2,4-diene
CID 123438047
(3E)-6-methyl-5-propan-2-ylhepta-3,5-dien-2-ol
CID 5363138
ethane;(Z)-2-methoxy-3-methylpent-2-ene
CID 144825663
(E)-N-butyl-4-hydroxypent-2-enamide
CID 15354770

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol?
The IUPAC name of (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol (CID 139497248) is (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol.
What is the SMILES notation for (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol?
The canonical SMILES for (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol is CC/C(C=CC(C)O)=C/C(C)=C(\C)OC.
What is the InChIKey of (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol?
The InChIKey is CDGCGESIIATGRH-WEDVVETLSA-N. The full InChI is InChI=1S/C13H22O2/c1-6-13(8-7-11(3)14)9-10(2)12(4)15-5/h7-9,11,14H,6H2,1-5H3/b8-7?,12-10+,13-9-.
What are the key properties of (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol?
(5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol has a molecular weight of 210.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-5-ethyl-8-methoxy-7-methylnona-3,5,7-trien-2-ol is sourced from PubChem (CID 139497248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).