2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane

C14H22O — CID 101130839

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
SMILESCC1CC(C)OC(C2CC3C=CC2C3)C1
InChIInChI=1S/C14H22O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,9-14H,5-8H2,1-2H3
InChIKeyCSLLUMGCLAJOSQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane

2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane (PubChem CID 101130839) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
PubChem CID101130839
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
SMILESCC1CC(C)OC(C2CC3C=CC2C3)C1
InChIInChI=1S/C14H22O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,9-14H,5-8H2,1-2H3
InChIKeyCSLLUMGCLAJOSQ-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.40
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

5-(2,4-dimethylcyclopentyl)bicyclo[2.2.1]hept-2-ene
CID 20708566
5-(4-methylcyclohexyl)bicyclo[2.2.1]hept-2-ene
CID 163949457
(4R,6R)-2-[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]-4,6-dimethyl-1,3-dioxane
CID 11775740
tricyclo[4.2.1.03,8]non-4-ene
CID 15329735
(2R,4R)-2-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-4-(chloromethyl)-1,3-dioxolane
CID 98152417
2-bicyclo[2.2.1]hept-5-enylazanium
CID 134866757
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 15829496
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane
CID 68977297
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
(2R)-4,6-dimethyloxan-2-ol
CID 142116366
CID 159408780
CID 159408780

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane (CID 101130839) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane is CC1CC(C)OC(C2CC3C=CC2C3)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane?
The InChIKey is CSLLUMGCLAJOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,9-14H,5-8H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane?
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane has a molecular weight of 206.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane is sourced from PubChem (CID 101130839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).