2-heptadec-8-enyl-2-heptyl-1,3-dioxolane

C27H52O2 — CID 72578433

IUPAC2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
SMILESCCCCCCCCC=CCCCCCCCC1(CCCCCCC)OCCO1
InChIInChI=1S/C27H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(28-25-26-29-27)23-21-19-8-6-4-2/h13-14H,3-12,15-26H2,1-2H3
InChIKeyYNNOKIZLDAOHBG-UHFFFAOYSA-N
MW408.71 g/mol
LogP9.13
Rot. Bonds21

About 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane

2-heptadec-8-enyl-2-heptyl-1,3-dioxolane (PubChem CID 72578433) has the molecular formula C27H52O2 and a molecular weight of 408.71 g/mol. Its IUPAC name is 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane.

Molecular Properties

Compound Name2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
PubChem CID72578433
Molecular FormulaC27H52O2
Molecular Weight408.71 g/mol
Exact Mass408.40
IUPAC Name2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
SMILESCCCCCCCCC=CCCCCCCCC1(CCCCCCC)OCCO1
InChIInChI=1S/C27H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(28-25-26-29-27)23-21-19-8-6-4-2/h13-14H,3-12,15-26H2,1-2H3
InChIKeyYNNOKIZLDAOHBG-UHFFFAOYSA-N
XLogP9.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.13
H-Bond Donors ≤ 50
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

2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
2-[(Z)-hexadec-7-enyl]-1,3-dioxolane-2-carboxamide
CID 70211952
2-heptyl-2-oct-7-ynyl-1,3-dioxolane
CID 57412166
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-tricos-11-ene
CID 5356790

Frequently Asked Questions

What is the IUPAC name of 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane?
The IUPAC name of 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane (CID 72578433) is 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane.
What is the SMILES notation for 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane?
The canonical SMILES for 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane is CCCCCCCCC=CCCCCCCCC1(CCCCCCC)OCCO1.
What is the InChIKey of 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane?
The InChIKey is YNNOKIZLDAOHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27(28-25-26-29-27)23-21-19-8-6-4-2/h13-14H,3-12,15-26H2,1-2H3.
What are the key properties of 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane?
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane has a molecular weight of 408.71 g/mol, XLogP of 9.13, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadec-8-enyl-2-heptyl-1,3-dioxolane is sourced from PubChem (CID 72578433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).