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

C18H32O3 — CID 162787734

IUPAC3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
SMILESC=CC(C)(O)CCC=C(C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3
InChIKeyPMQKDUOLNIZGFG-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.36
Rot. Bonds7

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

3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol (PubChem CID 162787734) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
PubChem CID162787734
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
SMILESC=CC(C)(O)CCC=C(C)CCC1OC(C)(C)OC1(C)C
InChIInChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3
InChIKeyPMQKDUOLNIZGFG-UHFFFAOYSA-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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Related Compounds

(5E,10E)-2,6,10-trimethyl-13-(2-methyl-1,3-dioxolan-2-yl)trideca-5,10-dien-4-ol
CID 49797963
3,7-Dimethyl-9-(-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
CID 139586788
[(2S,3S)-3-methyl-3-[(E)-4-methyl-6-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]hex-3-enyl]oxiran-2-yl]methanol
CID 42600159
2-[10-(3,3-Dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 72829604
(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane
CID 134901353
2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane
CID 134971317
(5R)-5-[(3E,7Z,11E,15E)-8-fluoro-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]-2,2,4,4-tetramethyl-1,3-dioxolane
CID 101937820
(E)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 6364641
(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol
CID 11130844
(6R)-3,9-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)deca-1,8-dien-3-ol
CID 21587186
(E)-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 101393383
3-Methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-2-penten-1-ol
CID 11042492

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
The IUPAC name of 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol (CID 162787734) is 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol.
What is the SMILES notation for 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
The canonical SMILES for 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol is C=CC(C)(O)CCC=C(C)CCC1OC(C)(C)OC1(C)C.
What is the InChIKey of 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
The InChIKey is PMQKDUOLNIZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3.
What are the key properties of 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol?
3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-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 3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol is sourced from PubChem (CID 162787734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).