(10Z)-1,3-dioxacycloheptadec-10-en-2-one

C15H26O3 — CID 70487909

IUPAC(10Z)-1,3-dioxacycloheptadec-10-en-2-one
SMILESO=C1OCCCCCC/C=C\CCCCCCO1
InChIInChI=1S/C15H26O3/c16-15-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-15/h1-2H,3-14H2/b2-1-
InChIKeyLEWLRBIPTSPWDJ-UPHRSURJSA-N
MW254.37 g/mol
LogP4.61
Rot. Bonds

About (10Z)-1,3-dioxacycloheptadec-10-en-2-one

(10Z)-1,3-dioxacycloheptadec-10-en-2-one (PubChem CID 70487909) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (10Z)-1,3-dioxacycloheptadec-10-en-2-one.

Molecular Properties

Compound Name(10Z)-1,3-dioxacycloheptadec-10-en-2-one
PubChem CID70487909
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(10Z)-1,3-dioxacycloheptadec-10-en-2-one
SMILESO=C1OCCCCCC/C=C\CCCCCCO1
InChIInChI=1S/C15H26O3/c16-15-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-15/h1-2H,3-14H2/b2-1-
InChIKeyLEWLRBIPTSPWDJ-UPHRSURJSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, 4-cycloocten-1-yl methyl ester
CID 5463762
Cyclooct-4-en-1-yl methyl carbonate
CID 54027559
3-Undecene, 11,11-diethoxy-, (3Z)-
CID 177843260
(Z)-7-Dodecenyl formate
CID 56935983
Octadec-9-enyl hydrogen carbonate
CID 54107937
Dioleyl carbonate
CID 57474348
7-Dodecenyl formate
CID 76463747
Carbonic acid, but-3-en-1-yl heptyl ester
CID 91692383
(Z)-Dec-4-enyl ethyl carbonate
CID 91694511
(Z)-1-(methoxymethoxy)dodec-5-ene
CID 89012537
(Z)-Dec-4-en-1-yl propyl carbonate
CID 91694510
(E)-18-(methoxymethoxy)octadec-5-ene
CID 170245320

Frequently Asked Questions

What is the IUPAC name of (10Z)-1,3-dioxacycloheptadec-10-en-2-one?
The IUPAC name of (10Z)-1,3-dioxacycloheptadec-10-en-2-one (CID 70487909) is (10Z)-1,3-dioxacycloheptadec-10-en-2-one.
What is the SMILES notation for (10Z)-1,3-dioxacycloheptadec-10-en-2-one?
The canonical SMILES for (10Z)-1,3-dioxacycloheptadec-10-en-2-one is O=C1OCCCCCC/C=C\CCCCCCO1.
What is the InChIKey of (10Z)-1,3-dioxacycloheptadec-10-en-2-one?
The InChIKey is LEWLRBIPTSPWDJ-UPHRSURJSA-N. The full InChI is InChI=1S/C15H26O3/c16-15-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-15/h1-2H,3-14H2/b2-1-.
What are the key properties of (10Z)-1,3-dioxacycloheptadec-10-en-2-one?
(10Z)-1,3-dioxacycloheptadec-10-en-2-one has a molecular weight of 254.37 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-1,3-dioxacycloheptadec-10-en-2-one is sourced from PubChem (CID 70487909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).