6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene

C16H24O2 — CID 139896238

IUPAC6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC=COCC1(COC=CC)C2C=CC(C2)C1C
InChIInChI=1S/C16H24O2/c1-4-8-17-11-16(12-18-9-5-2)13(3)14-6-7-15(16)10-14/h4-9,13-15H,10-12H2,1-3H3
InChIKeyCIVHNDSFTMXSBK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.92
Rot. Bonds6

About 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene

6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 139896238) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID139896238
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCC=COCC1(COC=CC)C2C=CC(C2)C1C
InChIInChI=1S/C16H24O2/c1-4-8-17-11-16(12-18-9-5-2)13(3)14-6-7-15(16)10-14/h4-9,13-15H,10-12H2,1-3H3
InChIKeyCIVHNDSFTMXSBK-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

5,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15474566
5,6-Bis(pentoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 101391568
7,7-Dimethyl-2-methoxy-norborn-2-ene
CID 91748660
5-(1-Bicyclo[2.2.1]hept-2-enyl)-2,2,3-trimethyl-3,4-dihydropyran
CID 85979275
[2-(Hydroxymethyl)-7,7-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 290648
(4E)-1,1-bis(methoxymethyl)-3-[(2Z)-penta-2,4-dienyl]-4-propylidenecyclopentane
CID 102356670
5,5-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15360342
2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 15739039
[2-(Hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 18761716
[2-(Hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 18761717
[3-Butyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 18761719
[3-Ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 18761720

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 139896238) is 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene is CC=COCC1(COC=CC)C2C=CC(C2)C1C.
What is the InChIKey of 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CIVHNDSFTMXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-8-17-11-16(12-18-9-5-2)13(3)14-6-7-15(16)10-14/h4-9,13-15H,10-12H2,1-3H3.
What are the key properties of 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene?
6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 248.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,5-bis(prop-1-enoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139896238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).