5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene

C15H22O — CID 123617028

IUPAC5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene
SMILESCC(C)C1=CCC(OC2C=CC=CC2)CC1
InChIInChI=1S/C15H22O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-6,8,12,14-15H,7,9-11H2,1-2H3
InChIKeyZNDDTKWWAKOVPQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.02
Rot. Bonds3

About 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene

5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene (PubChem CID 123617028) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene
PubChem CID123617028
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene
SMILESCC(C)C1=CCC(OC2C=CC=CC2)CC1
InChIInChI=1S/C15H22O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-6,8,12,14-15H,7,9-11H2,1-2H3
InChIKeyZNDDTKWWAKOVPQ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-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

cyclohexa-2,4-dien-1-yloxycyclooctane
CID 123602198
4-fluoro-1-propan-2-ylcyclohexene
CID 69179605
7-methoxycycloocta-1,3,5-triene
CID 71368516
(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
CID 142893677
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
4-dimethylphosphoryl-1-propan-2-ylcyclohexene
CID 176651149
5-fluoro-1-propan-2-ylcycloheptene
CID 170182234
4-methyl-1-[1-[1-(4-methylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
CID 22755365
di(cyclohexa-2,4-dien-1-yloxy)methanimine
CID 163641188
1-cyclohexa-2,4-dien-1-yloxy-4-ethylbenzene
CID 123160220
(1E,5Z)-1-propan-2-ylcycloocta-1,5-diene
CID 20800721
cyclohexa-2,4-dien-1-yl propanoate
CID 19827271

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene?
The IUPAC name of 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene (CID 123617028) is 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene?
The canonical SMILES for 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene is CC(C)C1=CCC(OC2C=CC=CC2)CC1.
What is the InChIKey of 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene?
The InChIKey is ZNDDTKWWAKOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-6,8,12,14-15H,7,9-11H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene?
5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene has a molecular weight of 218.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylcyclohex-3-en-1-yl)oxycyclohexa-1,3-diene is sourced from PubChem (CID 123617028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).