(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone

C17H24O — CID 140581437

IUPAC(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone
SMILESC=C1CCC23CC1C(C)(C)C2C(=C=O)C(C)C3C
InChIInChI=1S/C17H24O/c1-10-6-7-17-8-14(10)16(4,5)15(17)13(9-18)11(2)12(17)3/h11-12,14-15H,1,6-8H2,2-5H3
InChIKeyXRSSLAKWWOUTNJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.03
Rot. Bonds

About (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone

(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone (PubChem CID 140581437) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone.

Molecular Properties

Compound Name(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone
PubChem CID140581437
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone
SMILESC=C1CCC23CC1C(C)(C)C2C(=C=O)C(C)C3C
InChIInChI=1S/C17H24O/c1-10-6-7-17-8-14(10)16(4,5)15(17)13(9-18)11(2)12(17)3/h11-12,14-15H,1,6-8H2,2-5H3
InChIKeyXRSSLAKWWOUTNJ-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone?
The IUPAC name of (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone (CID 140581437) is (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone.
What is the SMILES notation for (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone?
The canonical SMILES for (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone is C=C1CCC23CC1C(C)(C)C2C(=C=O)C(C)C3C.
What is the InChIKey of (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone?
The InChIKey is XRSSLAKWWOUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-10-6-7-17-8-14(10)16(4,5)15(17)13(9-18)11(2)12(17)3/h11-12,14-15H,1,6-8H2,2-5H3.
What are the key properties of (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone?
(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone has a molecular weight of 244.38 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone is sourced from PubChem (CID 140581437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).