(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one

C18H24O — CID 102318467

IUPAC(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one
SMILESC=CC[C@@]1(C)C(=O)C=CC23CC4CC(CC(C4)[C@@H]21)C3
InChIInChI=1S/C18H24O/c1-3-5-17(2)15(19)4-6-18-10-12-7-13(11-18)9-14(8-12)16(17)18/h3-4,6,12-14,16H,1,5,7-11H2,2H3/t12?,13?,14?,16-,17+,18?/m1/s1
InChIKeyUMAJCRIWBCCBFH-CNSRUTRTSA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds2

About (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one

(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one (PubChem CID 102318467) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one.

Molecular Properties

Compound Name(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one
PubChem CID102318467
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one
SMILESC=CC[C@@]1(C)C(=O)C=CC23CC4CC(CC(C4)[C@@H]21)C3
InChIInChI=1S/C18H24O/c1-3-5-17(2)15(19)4-6-18-10-12-7-13(11-18)9-14(8-12)16(17)18/h3-4,6,12-14,16H,1,5,7-11H2,2H3/t12?,13?,14?,16-,17+,18?/m1/s1
InChIKeyUMAJCRIWBCCBFH-CNSRUTRTSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S,6R,7R,9S,10R)-5,9-dimethyl-5-prop-2-enyltetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-one
CID 101449650
(1S,5S,6R,7S,9S,10R)-5,9-dimethyl-5-prop-2-enyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-one
CID 12002656
2,4-dihydroxy-3-[3-[(5S,6R)-5-methyl-4-oxo-5-tetracyclo[7.3.1.17,11.01,6]tetradec-2-enyl]propanoylamino]benzoic acid
CID 102318474
2,4-dihydroxy-3-[3-[(5R,6S,9S,11R)-5-methyl-4-oxo-5-tetracyclo[7.3.1.17,11.01,6]tetradec-2-enyl]propanoylamino]benzoic acid
CID 25111815
2,4-dihydroxy-3-[3-[(5S)-5-methyl-4-oxo-5-tetracyclo[7.3.1.17,11.01,6]tetradec-2-enyl]propanoylamino]benzoic acid
CID 16755691
(4R,5S)-5-methyl-4-propan-2-yl-5-prop-2-enylcyclopent-2-en-1-one
CID 131109256
1-prop-2-enyladamantane
CID 10954060
3-[(5S)-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoic acid
CID 135032378
6-methyl-6-prop-2-enylcyclohex-2-en-1-one
CID 13024680
methyl 3-[(1R,5S,6S,8S,9S)-9-hydroxy-5-methyl-12-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoate
CID 163061515
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
CID 88974455
CID 88974455

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one?
The IUPAC name of (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one (CID 102318467) is (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one.
What is the SMILES notation for (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one?
The canonical SMILES for (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one is C=CC[C@@]1(C)C(=O)C=CC23CC4CC(CC(C4)[C@@H]21)C3.
What is the InChIKey of (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one?
The InChIKey is UMAJCRIWBCCBFH-CNSRUTRTSA-N. The full InChI is InChI=1S/C18H24O/c1-3-5-17(2)15(19)4-6-18-10-12-7-13(11-18)9-14(8-12)16(17)18/h3-4,6,12-14,16H,1,5,7-11H2,2H3/t12?,13?,14?,16-,17+,18?/m1/s1.
What are the key properties of (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one?
(5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one has a molecular weight of 256.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-methyl-5-prop-2-enyltetracyclo[7.3.1.17,11.01,6]tetradec-2-en-4-one is sourced from PubChem (CID 102318467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).