1-hept-6-enoxy-3,7-dimethylocta-2,6-diene

C17H30O — CID 90808858

IUPAC1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
SMILESC=CCCCCCOCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-6-7-8-9-14-18-15-13-17(4)12-10-11-16(2)3/h5,11,13H,1,6-10,12,14-15H2,2-4H3
InChIKeyVZVGCUAOLYEXTN-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.44
Rot. Bonds11

About 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene

1-hept-6-enoxy-3,7-dimethylocta-2,6-diene (PubChem CID 90808858) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
PubChem CID90808858
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
SMILESC=CCCCCCOCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H30O/c1-5-6-7-8-9-14-18-15-13-17(4)12-10-11-16(2)3/h5,11,13H,1,6-10,12,14-15H2,2-4H3
InChIKeyVZVGCUAOLYEXTN-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
2-methyl-7-prop-2-enoxyhept-2-ene
CID 174363106
1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
CID 11218120
1-[dec-9-enoxy(3,7-dimethylocta-2,6-dienoxy)methyl]-4-methoxybenzene
CID 54170261
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
CID 154634937
CID 154634937
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]octadecane;1-(3,7,11-trimethyldodecoxy)octadecane
CID 159018519
12-dodec-11-enoxydodec-1-ene
CID 87325659
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 102264216
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
CID 174355768

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene (CID 90808858) is 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene is C=CCCCCCOCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
The InChIKey is VZVGCUAOLYEXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-5-6-7-8-9-14-18-15-13-17(4)12-10-11-16(2)3/h5,11,13H,1,6-10,12,14-15H2,2-4H3.
What are the key properties of 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene?
1-hept-6-enoxy-3,7-dimethylocta-2,6-diene has a molecular weight of 250.43 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enoxy-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 90808858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).