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

C17H30O — CID 143867259

IUPACethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
SMILESCC.COCC(C)(C)C/C=C/C1=CC(C)=CCC1
InChIInChI=1S/C15H24O.C2H6/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4;1-2/h6-7,9,11H,5,8,10,12H2,1-4H3;1-2H3/b9-6+;
InChIKeyLHAADUDUMRUDJE-MLBSPLJJSA-N
MW250.43 g/mol
LogP5.30
Rot. Bonds5

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

ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene (PubChem CID 143867259) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
PubChem CID143867259
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Nameethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
SMILESCC.COCC(C)(C)C/C=C/C1=CC(C)=CCC1
InChIInChI=1S/C15H24O.C2H6/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4;1-2/h6-7,9,11H,5,8,10,12H2,1-4H3;1-2H3/b9-6+;
InChIKeyLHAADUDUMRUDJE-MLBSPLJJSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylbenzene
CID 70251776
(3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
1-ethoxy-3-methylcyclohexa-1,3-diene
CID 21315553
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
1-(3-methoxyprop-1-enyl)cyclopropene
CID 90887597
(3-methylcyclohexa-1,3-dien-1-yl)silane
CID 173485389
methyl 3-methylcyclohexa-1,3-diene-1-carboxylate
CID 12533909
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
N,N-diethyl-3-methoxy-2,2-dimethylpropan-1-amine
CID 139968907
ethane;1-methylcyclobutene
CID 91484029
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
CID 163751542

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene (CID 143867259) is ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene is CC.COCC(C)(C)C/C=C/C1=CC(C)=CCC1.
What is the InChIKey of ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene?
The InChIKey is LHAADUDUMRUDJE-MLBSPLJJSA-N. The full InChI is InChI=1S/C15H24O.C2H6/c1-13-7-5-8-14(11-13)9-6-10-15(2,3)12-16-4;1-2/h6-7,9,11H,5,8,10,12H2,1-4H3;1-2H3/b9-6+;.
What are the key properties of ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene?
ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene has a molecular weight of 250.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143867259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).