2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene

C15H24O — CID 70252329

IUPAC2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene
SMILESCOCC(C)(C)C/C=C/C1=CC(C)CC=C1
InChIInChI=1S/C15H24O/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4/h5-6,8-9,11,13H,7,10,12H2,1-4H3/b9-6+
InChIKeySLSSYJJFBKWYPK-RMKNXTFCSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds5

About 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene

2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene (PubChem CID 70252329) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene
PubChem CID70252329
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene
SMILESCOCC(C)(C)C/C=C/C1=CC(C)CC=C1
InChIInChI=1S/C15H24O/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4/h5-6,8-9,11,13H,7,10,12H2,1-4H3/b9-6+
InChIKeySLSSYJJFBKWYPK-RMKNXTFCSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene (CID 70252329) is 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene is COCC(C)(C)C/C=C/C1=CC(C)CC=C1.
What is the InChIKey of 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
The InChIKey is SLSSYJJFBKWYPK-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H24O/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4/h5-6,8-9,11,13H,7,10,12H2,1-4H3/b9-6+.
What are the key properties of 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene has a molecular weight of 220.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70252329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).