(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one

C16H26O2 — CID 134224529

IUPAC(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one
SMILESCCCCCCCC/C=C\C=C1\CC(C)OC1=O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(2)18-16(15)17/h10-12,14H,3-9,13H2,1-2H3/b11-10-,15-12-
InChIKeySPELXIDPTHZHEX-MRZBGHJPSA-N
MW250.38 g/mol
LogP4.55
Rot. Bonds8

About (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one

(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one (PubChem CID 134224529) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one
PubChem CID134224529
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one
SMILESCCCCCCCC/C=C\C=C1\CC(C)OC1=O
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(2)18-16(15)17/h10-12,14H,3-9,13H2,1-2H3/b11-10-,15-12-
InChIKeySPELXIDPTHZHEX-MRZBGHJPSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one?
The IUPAC name of (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one (CID 134224529) is (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one?
The canonical SMILES for (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one is CCCCCCCC/C=C\C=C1\CC(C)OC1=O.
What is the InChIKey of (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one?
The InChIKey is SPELXIDPTHZHEX-MRZBGHJPSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(2)18-16(15)17/h10-12,14H,3-9,13H2,1-2H3/b11-10-,15-12-.
What are the key properties of (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one?
(3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-[(Z)-undec-2-enylidene]oxolan-2-one is sourced from PubChem (CID 134224529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).