(1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene

C16H24O — CID 162974148

IUPAC(1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene
SMILESCC1=C[C@@H]2[C@@H]3C4C[C@@](C)([C@H]1C)[C@H]2C[C@@H](O4)[C@H]3C
InChIInChI=1S/C16H24O/c1-8-5-11-12-6-13-9(2)15(11)14(17-13)7-16(12,4)10(8)3/h5,9-15H,6-7H2,1-4H3/t9-,10+,11+,12+,13-,14?,15-,16+/m1/s1
InChIKeyQQRSEWRIKDGNQM-PVLNEHFGSA-N
MW232.37 g/mol
LogP3.65
Rot. Bonds

About (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene

(1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene (PubChem CID 162974148) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene.

Molecular Properties

Compound Name(1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene
PubChem CID162974148
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene
SMILESCC1=C[C@@H]2[C@@H]3C4C[C@@](C)([C@H]1C)[C@H]2C[C@@H](O4)[C@H]3C
InChIInChI=1S/C16H24O/c1-8-5-11-12-6-13-9(2)15(11)14(17-13)7-16(12,4)10(8)3/h5,9-15H,6-7H2,1-4H3/t9-,10+,11+,12+,13-,14?,15-,16+/m1/s1
InChIKeyQQRSEWRIKDGNQM-PVLNEHFGSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene?
The IUPAC name of (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene (CID 162974148) is (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene.
What is the SMILES notation for (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene?
The canonical SMILES for (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene is CC1=C[C@@H]2[C@@H]3C4C[C@@](C)([C@H]1C)[C@H]2C[C@@H](O4)[C@H]3C.
What is the InChIKey of (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene?
The InChIKey is QQRSEWRIKDGNQM-PVLNEHFGSA-N. The full InChI is InChI=1S/C16H24O/c1-8-5-11-12-6-13-9(2)15(11)14(17-13)7-16(12,4)10(8)3/h5,9-15H,6-7H2,1-4H3/t9-,10+,11+,12+,13-,14?,15-,16+/m1/s1.
What are the key properties of (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene?
(1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene has a molecular weight of 232.37 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,7S,8R,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.03,8.04,11]tridec-5-ene is sourced from PubChem (CID 162974148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).