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

C18H32O3 — CID 11616358

IUPAC(2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C18H32O3/c1-14(8-7-9-15(2)12-13-19)10-11-16-17(3,4)21-18(5,6)20-16/h8,12,16,19H,7,9-11,13H2,1-6H3/b14-8+,15-12+
InChIKeyPNIPPYOQJTYMKF-DYHGJXMBSA-N
MW296.45 g/mol
LogP4.36
Rot. Bonds7

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

(2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol (PubChem CID 11616358) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol
PubChem CID11616358
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C18H32O3/c1-14(8-7-9-15(2)12-13-19)10-11-16-17(3,4)21-18(5,6)20-16/h8,12,16,19H,7,9-11,13H2,1-6H3/b14-8+,15-12+
InChIKeyPNIPPYOQJTYMKF-DYHGJXMBSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol (CID 11616358) is (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol is C/C(=C\CO)CC/C=C(\C)CCC1OC(C)(C)OC1(C)C.
What is the InChIKey of (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol?
The InChIKey is PNIPPYOQJTYMKF-DYHGJXMBSA-N. The full InChI is InChI=1S/C18H32O3/c1-14(8-7-9-15(2)12-13-19)10-11-16-17(3,4)21-18(5,6)20-16/h8,12,16,19H,7,9-11,13H2,1-6H3/b14-8+,15-12+.
What are the key properties of (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol has a molecular weight of 296.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-2,6-dien-1-ol is sourced from PubChem (CID 11616358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).