2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene

C17H26O — CID 134857056

IUPAC2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)OC1C2C=CC1C(C1CCCCC1)=C2
InChIInChI=1S/C17H26O/c1-17(2,3)18-16-13-9-10-14(16)15(11-13)12-7-5-4-6-8-12/h9-14,16H,4-8H2,1-3H3
InChIKeyQJJGFQVQYCHRBB-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.49
Rot. Bonds2

About 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene

2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 134857056) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
PubChem CID134857056
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)OC1C2C=CC1C(C1CCCCC1)=C2
InChIInChI=1S/C17H26O/c1-17(2,3)18-16-13-9-10-14(16)15(11-13)12-7-5-4-6-8-12/h9-14,16H,4-8H2,1-3H3
InChIKeyQJJGFQVQYCHRBB-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 2828531
2-cyclohexyl-5-[(2Z,4Z)-5-ethenyl-4-fluoro-6-methylocta-2,4-dien-3-yl]oxane
CID 134447490
2-cyclohexyl-5-[(3Z,5Z)-3,4-difluorohepta-1,3,5-trien-2-yl]oxane
CID 134447530
1-(4-Butoxycyclohexyl)-5-fluoro-6-methylcyclohexa-1,3-diene
CID 144164064
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
CID 10774208
[(1R,2S,3E,6Z,9Z)-1-methoxy-2,4,6-trimethylundeca-3,6,9-trienyl]cyclohexane
CID 46894185
7-[(2-Methylpropan-2-yl)oxy]-2-[7-[(2-methylpropan-2-yl)oxy]-2-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-diene
CID 134832207
2-Cyclobutyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
CID 134856995
3-Oxabicyclo[3.3.1]non-6-ene, 6-methyl-4-isopropyl-
CID 564663
3-(5-Ethoxyheptyl)cyclopentene
CID 13924082
1-but-3-enoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19834841
1-but-3-enoxy-4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19834851

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene (CID 134857056) is 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene is CC(C)(C)OC1C2C=CC1C(C1CCCCC1)=C2.
What is the InChIKey of 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is QJJGFQVQYCHRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-17(2,3)18-16-13-9-10-14(16)15(11-13)12-7-5-4-6-8-12/h9-14,16H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene?
2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 246.39 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 134857056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).