(3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane

C23H44O — CID 15890288

IUPAC(3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane
SMILESCCCCCCCC/C=C1\CC(CCCCCCCC)OC1(C)C
InChIInChI=1S/C23H44O/c1-5-7-9-11-13-14-16-18-21-20-22(24-23(21,3)4)19-17-15-12-10-8-6-2/h18,22H,5-17,19-20H2,1-4H3/b21-18+
InChIKeyFIXGLHRAWUDDQN-DYTRJAOYSA-N
MW336.60 g/mol
LogP7.98
Rot. Bonds14

About (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane

(3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane (PubChem CID 15890288) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane.

Molecular Properties

Compound Name(3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane
PubChem CID15890288
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name(3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane
SMILESCCCCCCCC/C=C1\CC(CCCCCCCC)OC1(C)C
InChIInChI=1S/C23H44O/c1-5-7-9-11-13-14-16-18-21-20-22(24-23(21,3)4)19-17-15-12-10-8-6-2/h18,22H,5-17,19-20H2,1-4H3/b21-18+
InChIKeyFIXGLHRAWUDDQN-DYTRJAOYSA-N
XLogP7.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 57.98
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

4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2-nonadec-10-enyloxirane
CID 54194145
4-dodecyloxetan-2-one
CID 90110174
3-hexadecyl-4-undecylideneoxetan-2-one
CID 71342260
(4Z)-4-heptadecylidene-3-tetradecyloxetan-2-one
CID 22833450
(2S,4R)-4-heptyl-2-(iodomethyl)-2-methyloxetane
CID 11255336
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2R)-2-octadecyloxirane
CID 98043533

Frequently Asked Questions

What is the IUPAC name of (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane?
The IUPAC name of (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane (CID 15890288) is (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane.
What is the SMILES notation for (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane?
The canonical SMILES for (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane is CCCCCCCC/C=C1\CC(CCCCCCCC)OC1(C)C.
What is the InChIKey of (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane?
The InChIKey is FIXGLHRAWUDDQN-DYTRJAOYSA-N. The full InChI is InChI=1S/C23H44O/c1-5-7-9-11-13-14-16-18-21-20-22(24-23(21,3)4)19-17-15-12-10-8-6-2/h18,22H,5-17,19-20H2,1-4H3/b21-18+.
What are the key properties of (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane?
(3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane has a molecular weight of 336.60 g/mol, XLogP of 7.98, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,2-dimethyl-3-nonylidene-5-octyloxolane is sourced from PubChem (CID 15890288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).