12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol

C16H32O3 — CID 156747026

IUPAC12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol
SMILESCOC(CCC(C)=CCCC(C)CCC(C)O)OC
InChIInChI=1S/C16H32O3/c1-13(9-11-15(3)17)7-6-8-14(2)10-12-16(18-4)19-5/h8,13,15-17H,6-7,9-12H2,1-5H3
InChIKeyVNMAVIHZEOWPQC-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.91
Rot. Bonds11

About 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol

12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol (PubChem CID 156747026) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol.

Molecular Properties

Compound Name12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol
PubChem CID156747026
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol
SMILESCOC(CCC(C)=CCCC(C)CCC(C)O)OC
InChIInChI=1S/C16H32O3/c1-13(9-11-15(3)17)7-6-8-14(2)10-12-16(18-4)19-5/h8,13,15-17H,6-7,9-12H2,1-5H3
InChIKeyVNMAVIHZEOWPQC-UHFFFAOYSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
CID 5366901
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
6,10-dimethyldodeca-5,9-dien-2-ol
CID 76600828
(E)-6,10-dimethylpentadec-5-en-2-ol
CID 129151744
6,10-dimethylundec-5-en-2-ol
CID 57253097
ethyl (2Z,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dienoate
CID 14103326
(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene
CID 88656729
3,7,10-trimethylundec-3-ene
CID 91082560
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol?
The IUPAC name of 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol (CID 156747026) is 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol.
What is the SMILES notation for 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol?
The canonical SMILES for 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol is COC(CCC(C)=CCCC(C)CCC(C)O)OC.
What is the InChIKey of 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol?
The InChIKey is VNMAVIHZEOWPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-13(9-11-15(3)17)7-6-8-14(2)10-12-16(18-4)19-5/h8,13,15-17H,6-7,9-12H2,1-5H3.
What are the key properties of 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol?
12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol has a molecular weight of 272.43 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol is sourced from PubChem (CID 156747026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).