1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene

C15H24O — CID 86012150

IUPAC1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene
SMILESCOC1=CC(C)CC(=C(C)C)CC1=C(C)C
InChIInChI=1S/C15H24O/c1-10(2)13-7-12(5)8-15(16-6)14(9-13)11(3)4/h8,12H,7,9H2,1-6H3
InChIKeyMMNSNNPCGNVBRR-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.62
Rot. Bonds1

About 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene

1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene (PubChem CID 86012150) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene.

Molecular Properties

Compound Name1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene
PubChem CID86012150
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene
SMILESCOC1=CC(C)CC(=C(C)C)CC1=C(C)C
InChIInChI=1S/C15H24O/c1-10(2)13-7-12(5)8-15(16-6)14(9-13)11(3)4/h8,12H,7,9H2,1-6H3
InChIKeyMMNSNNPCGNVBRR-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene?
The IUPAC name of 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene (CID 86012150) is 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene.
What is the SMILES notation for 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene?
The canonical SMILES for 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene is COC1=CC(C)CC(=C(C)C)CC1=C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene?
The InChIKey is MMNSNNPCGNVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-7-12(5)8-15(16-6)14(9-13)11(3)4/h8,12H,7,9H2,1-6H3.
What are the key properties of 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene?
1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene has a molecular weight of 220.36 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5,7-di(propan-2-ylidene)cycloheptene is sourced from PubChem (CID 86012150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).