4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane

C15H22O — CID 56842963

IUPAC4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
SMILESC=CCC1CC2CC1C1CC3OC3(C)CC21
InChIInChI=1S/C15H22O/c1-3-4-9-5-10-6-11(9)12-7-14-15(2,16-14)8-13(10)12/h3,9-14H,1,4-8H2,2H3
InChIKeyMVWIPOIFSDKSIW-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.40
Rot. Bonds2

About 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane

4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane (PubChem CID 56842963) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane.

Molecular Properties

Compound Name4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
PubChem CID56842963
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
SMILESC=CCC1CC2CC1C1CC3OC3(C)CC21
InChIInChI=1S/C15H22O/c1-3-4-9-5-10-6-11(9)12-7-14-15(2,16-14)8-13(10)12/h3,9-14H,1,4-8H2,2H3
InChIKeyMVWIPOIFSDKSIW-UHFFFAOYSA-N
XLogP3.40
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane?
The IUPAC name of 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane (CID 56842963) is 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane.
What is the SMILES notation for 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane?
The canonical SMILES for 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane is C=CCC1CC2CC1C1CC3OC3(C)CC21.
What is the InChIKey of 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane?
The InChIKey is MVWIPOIFSDKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-9-5-10-6-11(9)12-7-14-15(2,16-14)8-13(10)12/h3,9-14H,1,4-8H2,2H3.
What are the key properties of 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane?
4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane has a molecular weight of 218.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-10-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane is sourced from PubChem (CID 56842963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).