3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane

C15H26O — CID 118370472

IUPAC3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane
SMILESC=C/C=C\C=C/COCC(CC)CCCC
InChIInChI=1S/C15H26O/c1-4-7-9-10-11-13-16-14-15(6-3)12-8-5-2/h4,7,9-11,15H,1,5-6,8,12-14H2,2-3H3/b9-7-,11-10-
InChIKeyHHUGQQSBEYRPGE-MNAJIYKBSA-N
MW222.37 g/mol
LogP4.52
Rot. Bonds10

About 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane

3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane (PubChem CID 118370472) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane.

Molecular Properties

Compound Name3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane
PubChem CID118370472
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane
SMILESC=C/C=C\C=C/COCC(CC)CCCC
InChIInChI=1S/C15H26O/c1-4-7-9-10-11-13-16-14-15(6-3)12-8-5-2/h4,7,9-11,15H,1,5-6,8,12-14H2,2-3H3/b9-7-,11-10-
InChIKeyHHUGQQSBEYRPGE-MNAJIYKBSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(prop-2-enoxymethyl)heptane
CID 3530837
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-(4-ethenoxybutoxymethyl)heptane
CID 139971607
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-ethylhexoxymethanol
CID 18783221
2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol
CID 59734661
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
CID 88753128
CID 88753128

Frequently Asked Questions

What is the IUPAC name of 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane?
The IUPAC name of 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane (CID 118370472) is 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane.
What is the SMILES notation for 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane?
The canonical SMILES for 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane is C=C/C=C\C=C/COCC(CC)CCCC.
What is the InChIKey of 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane?
The InChIKey is HHUGQQSBEYRPGE-MNAJIYKBSA-N. The full InChI is InChI=1S/C15H26O/c1-4-7-9-10-11-13-16-14-15(6-3)12-8-5-2/h4,7,9-11,15H,1,5-6,8,12-14H2,2-3H3/b9-7-,11-10-.
What are the key properties of 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane?
3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane has a molecular weight of 222.37 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane is sourced from PubChem (CID 118370472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).