(4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol

C17H30O3 — CID 102067699

IUPAC(4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol
SMILESC/C(=C\C=C\CCCO)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C17H30O3/c1-14(10-8-6-7-9-13-18)11-12-15-16(2,3)20-17(4,5)19-15/h6,8,10,15,18H,7,9,11-13H2,1-5H3/b8-6+,14-10+
InChIKeyKYNLQYPWIUBOER-RCAAVWGTSA-N
MW282.42 g/mol
LogP3.97
Rot. Bonds7

About (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol

(4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol (PubChem CID 102067699) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol
PubChem CID102067699
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol
SMILESC/C(=C\C=C\CCCO)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C17H30O3/c1-14(10-8-6-7-9-13-18)11-12-15-16(2,3)20-17(4,5)19-15/h6,8,10,15,18H,7,9,11-13H2,1-5H3/b8-6+,14-10+
InChIKeyKYNLQYPWIUBOER-RCAAVWGTSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol?
The IUPAC name of (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol (CID 102067699) is (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol.
What is the SMILES notation for (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol?
The canonical SMILES for (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol is C/C(=C\C=C\CCCO)CCC1OC(C)(C)OC1(C)C.
What is the InChIKey of (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol?
The InChIKey is KYNLQYPWIUBOER-RCAAVWGTSA-N. The full InChI is InChI=1S/C17H30O3/c1-14(10-8-6-7-9-13-18)11-12-15-16(2,3)20-17(4,5)19-15/h6,8,10,15,18H,7,9,11-13H2,1-5H3/b8-6+,14-10+.
What are the key properties of (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol?
(4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-methyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-4,6-dien-1-ol is sourced from PubChem (CID 102067699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).