(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol

C13H22O2 — CID 164608860

IUPAC(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol
SMILESC=CCOC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C13H22O2/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h4,7-8,14H,1,5-6,9-11H2,2-3H3/b12-8+,13-7+
InChIKeyKANLUNNZVJTEQW-SWZPTJTJSA-N
MW210.32 g/mol
LogP2.85
Rot. Bonds8

About (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol

(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol (PubChem CID 164608860) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol
PubChem CID164608860
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol
SMILESC=CCOC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C13H22O2/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h4,7-8,14H,1,5-6,9-11H2,2-3H3/b12-8+,13-7+
InChIKeyKANLUNNZVJTEQW-SWZPTJTJSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
CID 86742985
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
CID 5366901
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol (CID 164608860) is (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol is C=CCOC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol?
The InChIKey is KANLUNNZVJTEQW-SWZPTJTJSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-10-15-11-13(3)7-5-6-12(2)8-9-14/h4,7-8,14H,1,5-6,9-11H2,2-3H3/b12-8+,13-7+.
What are the key properties of (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol?
(2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7-dimethyl-8-prop-2-enoxyocta-2,6-dien-1-ol is sourced from PubChem (CID 164608860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).