8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene

C18H24O — CID 138514514

IUPAC8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
SMILESC=C(C)C1=C2C3C=CC4(CCCC4CC2C(C)C1)O3
InChIInChI=1S/C18H24O/c1-11(2)14-9-12(3)15-10-13-5-4-7-18(13)8-6-16(19-18)17(14)15/h6,8,12-13,15-16H,1,4-5,7,9-10H2,2-3H3
InChIKeyPEBITOQFRGWMAF-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.41
Rot. Bonds1

About 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene

8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene (PubChem CID 138514514) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene.

Molecular Properties

Compound Name8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
PubChem CID138514514
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
SMILESC=C(C)C1=C2C3C=CC4(CCCC4CC2C(C)C1)O3
InChIInChI=1S/C18H24O/c1-11(2)14-9-12(3)15-10-13-5-4-7-18(13)8-6-16(19-18)17(14)15/h6,8,12-13,15-16H,1,4-5,7,9-10H2,2-3H3
InChIKeyPEBITOQFRGWMAF-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
The IUPAC name of 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene (CID 138514514) is 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene.
What is the SMILES notation for 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
The canonical SMILES for 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene is C=C(C)C1=C2C3C=CC4(CCCC4CC2C(C)C1)O3.
What is the InChIKey of 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
The InChIKey is PEBITOQFRGWMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-11(2)14-9-12(3)15-10-13-5-4-7-18(13)8-6-16(19-18)17(14)15/h6,8,12-13,15-16H,1,4-5,7,9-10H2,2-3H3.
What are the key properties of 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene?
8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene has a molecular weight of 256.39 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene is sourced from PubChem (CID 138514514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).