(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane

C19H30O — CID 11119291

IUPAC(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane
SMILESC=CC[C@@]12C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]31CO2
InChIInChI=1S/C19H30O/c1-5-8-19-12-15-17(4)10-6-9-16(2,3)14(17)7-11-18(15,19)13-20-19/h5,14-15H,1,6-13H2,2-4H3/t14-,15+,17-,18-,19+/m0/s1
InChIKeySKEASXOXEHFRLA-HAYURNKSSA-N
MW274.45 g/mol
LogP4.96
Rot. Bonds2

About (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane

(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane (PubChem CID 11119291) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane.

Molecular Properties

Compound Name(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane
PubChem CID11119291
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane
SMILESC=CC[C@@]12C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]31CO2
InChIInChI=1S/C19H30O/c1-5-8-19-12-15-17(4)10-6-9-16(2,3)14(17)7-11-18(15,19)13-20-19/h5,14-15H,1,6-13H2,2-4H3/t14-,15+,17-,18-,19+/m0/s1
InChIKeySKEASXOXEHFRLA-HAYURNKSSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane with MolForge

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Related Compounds

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CID 10039893
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CID 11872219
(3R,4aR,6aS,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
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(3-ethenyl-4a,7,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl)methanol
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2-[(3R,4aS,6aR,10aR,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]acetaldehyde
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(1S,2S,8aR)-2,5,5,8a-tetramethyl-1-prop-2-enyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane?
The IUPAC name of (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane (CID 11119291) is (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane.
What is the SMILES notation for (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane?
The canonical SMILES for (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane is C=CC[C@@]12C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]31CO2.
What is the InChIKey of (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane?
The InChIKey is SKEASXOXEHFRLA-HAYURNKSSA-N. The full InChI is InChI=1S/C19H30O/c1-5-8-19-12-15-17(4)10-6-9-16(2,3)14(17)7-11-18(15,19)13-20-19/h5,14-15H,1,6-13H2,2-4H3/t14-,15+,17-,18-,19+/m0/s1.
What are the key properties of (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane?
(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane has a molecular weight of 274.45 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane is sourced from PubChem (CID 11119291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).