2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane

C15H24O2 — CID 85397589

IUPAC2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
SMILESCC1(C)C2C=C(COC3CCCCO3)CC1C2
InChIInChI=1S/C15H24O2/c1-15(2)12-7-11(8-13(15)9-12)10-17-14-5-3-4-6-16-14/h7,12-14H,3-6,8-10H2,1-2H3
InChIKeyPLZOQLYHOBLGJK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds3

About 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane

2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane (PubChem CID 85397589) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
PubChem CID85397589
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
SMILESCC1(C)C2C=C(COC3CCCCO3)CC1C2
InChIInChI=1S/C15H24O2/c1-15(2)12-7-11(8-13(15)9-12)10-17-14-5-3-4-6-16-14/h7,12-14H,3-6,8-10H2,1-2H3
InChIKeyPLZOQLYHOBLGJK-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
CID 101115831
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
(1S,2S,5R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-one
CID 14352708
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol
CID 70512661
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270
2-[(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)methoxy]oxane
CID 22336746
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974

Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane?
The IUPAC name of 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane (CID 85397589) is 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane.
What is the SMILES notation for 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane?
The canonical SMILES for 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane is CC1(C)C2C=C(COC3CCCCO3)CC1C2.
What is the InChIKey of 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane?
The InChIKey is PLZOQLYHOBLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-15(2)12-7-11(8-13(15)9-12)10-17-14-5-3-4-6-16-14/h7,12-14H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane?
2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane has a molecular weight of 236.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane is sourced from PubChem (CID 85397589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).