ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol

C10H18O2 — CID 142915997

IUPACethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC.COC1=C(C)CCC(O)=C1
InChIInChI=1S/C8H12O2.C2H6/c1-6-3-4-7(9)5-8(6)10-2;1-2/h5,9H,3-4H2,1-2H3;1-2H3
InChIKeyDKZWAARSINOPAM-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.17
Rot. Bonds1

About ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol

ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 142915997) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Nameethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol
PubChem CID142915997
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol
SMILESCC.COC1=C(C)CCC(O)=C1
InChIInChI=1S/C8H12O2.C2H6/c1-6-3-4-7(9)5-8(6)10-2;1-2/h5,9H,3-4H2,1-2H3;1-2H3
InChIKeyDKZWAARSINOPAM-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol (CID 142915997) is ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol is CC.COC1=C(C)CCC(O)=C1.
What is the InChIKey of ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is DKZWAARSINOPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C2H6/c1-6-3-4-7(9)5-8(6)10-2;1-2/h5,9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol?
ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 170.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142915997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).