(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol

C14H26O3 — CID 5366901

IUPAC(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
SMILESCOC(CC/C(C)=C/CC/C(C)=C/CO)OC
InChIInChI=1S/C14H26O3/c1-12(8-9-14(16-3)17-4)6-5-7-13(2)10-11-15/h6,10,14-15H,5,7-9,11H2,1-4H3/b12-6+,13-10+
InChIKeySJRNFDXKWMWVAW-WAAHFECUSA-N
MW242.36 g/mol
LogP3.05
Rot. Bonds9

About (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol

(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol (PubChem CID 5366901) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
PubChem CID5366901
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
SMILESCOC(CC/C(C)=C/CC/C(C)=C/CO)OC
InChIInChI=1S/C14H26O3/c1-12(8-9-14(16-3)17-4)6-5-7-13(2)10-11-15/h6,10,14-15H,5,7-9,11H2,1-4H3/b12-6+,13-10+
InChIKeySJRNFDXKWMWVAW-WAAHFECUSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.05
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

ethyl (2Z,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dienoate
CID 14103326
(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2Z,6Z)-3,7,11-trimethyldodeca-2,6-diene-1,10,11-triol
CID 15378080
12,12-dimethoxy-5,9-dimethyldodec-8-en-2-ol
CID 156747026
(Z)-3-iodo-6,6-dimethoxyhex-2-en-1-ol
CID 25129059
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
3,7-dimethyltrideca-2,6-dien-11-yne-1,10-diol
CID 54021374
(3R,6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
CID 163039097
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol (CID 5366901) is (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol is COC(CC/C(C)=C/CC/C(C)=C/CO)OC.
What is the InChIKey of (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol?
The InChIKey is SJRNFDXKWMWVAW-WAAHFECUSA-N. The full InChI is InChI=1S/C14H26O3/c1-12(8-9-14(16-3)17-4)6-5-7-13(2)10-11-15/h6,10,14-15H,5,7-9,11H2,1-4H3/b12-6+,13-10+.
What are the key properties of (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol?
(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol is sourced from PubChem (CID 5366901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).