(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene

C15H20O — CID 23427471

IUPAC(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene
SMILESC=C1CC2C[C@@](C)(CCc3ccoc32)[C@H]1C
InChIInChI=1S/C15H20O/c1-10-8-13-9-15(3,11(10)2)6-4-12-5-7-16-14(12)13/h5,7,11,13H,1,4,6,8-9H2,2-3H3/t11-,13?,15+/m0/s1
InChIKeyUSLKVNXKOILJKL-LKVSRFHLSA-N
MW216.32 g/mol
LogP4.30
Rot. Bonds

About (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene

(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene (PubChem CID 23427471) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene.

Molecular Properties

Compound Name(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene
PubChem CID23427471
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene
SMILESC=C1CC2C[C@@](C)(CCc3ccoc32)[C@H]1C
InChIInChI=1S/C15H20O/c1-10-8-13-9-15(3,11(10)2)6-4-12-5-7-16-14(12)13/h5,7,11,13H,1,4,6,8-9H2,2-3H3/t11-,13?,15+/m0/s1
InChIKeyUSLKVNXKOILJKL-LKVSRFHLSA-N
XLogP4.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene with MolForge

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Related Compounds

(6aS)-6a-methyl-4,5,6,7,8,9a-hexahydroazuleno[8,7-b]furan-9-one
CID 135039054
(6R,7S)-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-carbaldehyde
CID 131145401
(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol
CID 59511534
4,4,7-trimethyl-6,7-dihydro-5H-furo[3,2-c]pyridine
CID 84652194
(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]
CID 10040483
N,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-6-amine
CID 112714136
4,7-dimethyl-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
CID 13143617
(8S)-9,10,13-trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien-8-ol
CID 23425963
6,6-dimethylspiro[4,5-dihydro-1-benzofuran-7,3'-pyrrolidine]
CID 112715806
5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
CID 90261973
N-(2,4,4-trimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81321574
5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole
CID 112714220

Frequently Asked Questions

What is the IUPAC name of (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene?
The IUPAC name of (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene (CID 23427471) is (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene.
What is the SMILES notation for (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene?
The canonical SMILES for (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene is C=C1CC2C[C@@](C)(CCc3ccoc32)[C@H]1C.
What is the InChIKey of (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene?
The InChIKey is USLKVNXKOILJKL-LKVSRFHLSA-N. The full InChI is InChI=1S/C15H20O/c1-10-8-13-9-15(3,11(10)2)6-4-12-5-7-16-14(12)13/h5,7,11,13H,1,4,6,8-9H2,2-3H3/t11-,13?,15+/m0/s1.
What are the key properties of (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene?
(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene has a molecular weight of 216.32 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene is sourced from PubChem (CID 23427471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).