6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene

C14H24O — CID 57197989

IUPAC6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene
SMILESCOC(C)=CCC1C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7-8,13H,6,9-10H2,1-5H3
InChIKeyXGBCKNMDNWWDPB-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.31
Rot. Bonds3

About 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene

6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene (PubChem CID 57197989) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene
PubChem CID57197989
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene
SMILESCOC(C)=CCC1C(C)=CCCC1(C)C
InChIInChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7-8,13H,6,9-10H2,1-5H3
InChIKeyXGBCKNMDNWWDPB-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene (CID 57197989) is 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene is COC(C)=CCC1C(C)=CCCC1(C)C.
What is the InChIKey of 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene?
The InChIKey is XGBCKNMDNWWDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7-8,13H,6,9-10H2,1-5H3.
What are the key properties of 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene?
6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene has a molecular weight of 208.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxybut-2-enyl)-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 57197989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).