(1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol

C20H32O2 — CID 101020019

IUPAC(1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol
SMILESC=C[C@]1(C)CC[C@]23C(O)O[C@]4(CC[C@@H]2C1)[C@H]3CCCC4(C)C
InChIInChI=1S/C20H32O2/c1-5-18(4)11-12-19-14(13-18)8-10-20(22-16(19)21)15(19)7-6-9-17(20,2)3/h5,14-16,21H,1,6-13H2,2-4H3/t14-,15+,16?,18-,19+,20-/m1/s1
InChIKeyKMMOJMQDSAPQSS-RQNPOXFISA-N
MW304.47 g/mol
LogP4.67
Rot. Bonds1

About (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol

(1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol (PubChem CID 101020019) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol.

Molecular Properties

Compound Name(1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol
PubChem CID101020019
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol
SMILESC=C[C@]1(C)CC[C@]23C(O)O[C@]4(CC[C@@H]2C1)[C@H]3CCCC4(C)C
InChIInChI=1S/C20H32O2/c1-5-18(4)11-12-19-14(13-18)8-10-20(22-16(19)21)15(19)7-6-9-17(20,2)3/h5,14-16,21H,1,6-13H2,2-4H3/t14-,15+,16?,18-,19+,20-/m1/s1
InChIKeyKMMOJMQDSAPQSS-RQNPOXFISA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol?
The IUPAC name of (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol (CID 101020019) is (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol.
What is the SMILES notation for (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol?
The canonical SMILES for (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol is C=C[C@]1(C)CC[C@]23C(O)O[C@]4(CC[C@@H]2C1)[C@H]3CCCC4(C)C.
What is the InChIKey of (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol?
The InChIKey is KMMOJMQDSAPQSS-RQNPOXFISA-N. The full InChI is InChI=1S/C20H32O2/c1-5-18(4)11-12-19-14(13-18)8-10-20(22-16(19)21)15(19)7-6-9-17(20,2)3/h5,14-16,21H,1,6-13H2,2-4H3/t14-,15+,16?,18-,19+,20-/m1/s1.
What are the key properties of (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol?
(1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol has a molecular weight of 304.47 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R,9S,10S)-6-ethenyl-6,14,14-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadecan-16-ol is sourced from PubChem (CID 101020019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).