(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one

C17H26O3 — CID 134888142

IUPAC(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one
SMILESCOCOC1/C=C\CCCCC(=O)C(C)C#CCCC1
InChIInChI=1S/C17H26O3/c1-15-10-6-5-8-12-16(20-14-19-2)11-7-3-4-9-13-17(15)18/h7,11,15-16H,3-5,8-9,12-14H2,1-2H3/b11-7-
InChIKeyDIUNWWWXYSOCRS-XFFZJAGNSA-N
MW278.39 g/mol
LogP3.48
Rot. Bonds3

About (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one

(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one (PubChem CID 134888142) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one.

Molecular Properties

Compound Name(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one
PubChem CID134888142
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one
SMILESCOCOC1/C=C\CCCCC(=O)C(C)C#CCCC1
InChIInChI=1S/C17H26O3/c1-15-10-6-5-8-12-16(20-14-19-2)11-7-3-4-9-13-17(15)18/h7,11,15-16H,3-5,8-9,12-14H2,1-2H3/b11-7-
InChIKeyDIUNWWWXYSOCRS-XFFZJAGNSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 141179589
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
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(2R,5S,6E,8R)-5,8-bis(methoxymethoxy)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 11098187
(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
CID 100956681
3-[(E)-4,4-dimethoxybut-2-enoxy]cyclohexene
CID 10656178
(2R,4S,5E,7S)-7-(methoxymethoxy)-4-(methoxymethyl)-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 122548095
3-phenylmethoxycycloheptene
CID 12512694
2-[(2Z)-cyclooct-2-en-1-yl]oxyethanol
CID 130297683
4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
CID 131983406
3-but-2-ynoxycyclohexene
CID 15890715
3-methylcyclopentadec-1-en-8-yne
CID 123715126
(4Z)-2-methylcyclopentadec-4-en-1-one
CID 12861299

Frequently Asked Questions

What is the IUPAC name of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one?
The IUPAC name of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one (CID 134888142) is (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one.
What is the SMILES notation for (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one?
The canonical SMILES for (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one is COCOC1/C=C\CCCCC(=O)C(C)C#CCCC1.
What is the InChIKey of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one?
The InChIKey is DIUNWWWXYSOCRS-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H26O3/c1-15-10-6-5-8-12-16(20-14-19-2)11-7-3-4-9-13-17(15)18/h7,11,15-16H,3-5,8-9,12-14H2,1-2H3/b11-7-.
What are the key properties of (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one?
(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one has a molecular weight of 278.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one is sourced from PubChem (CID 134888142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).