(1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene

C14H20O — CID 102415613

IUPAC(1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
SMILESCC1CC=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)C2)[C@@H]13
InChIInChI=1S/C14H20O/c1-9-4-3-5-14-7-10-6-11(12(9)14)15-13(10,2)8-14/h3,5,9-12H,4,6-8H2,1-2H3/t9?,10-,11+,12-,13+,14+/m1/s1
InChIKeyUHQIKMOUVFIDPV-AKIKKLFKSA-N
MW204.31 g/mol
LogP3.16
Rot. Bonds

About (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene

(1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene (PubChem CID 102415613) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene.

Molecular Properties

Compound Name(1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
PubChem CID102415613
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
SMILESCC1CC=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)C2)[C@@H]13
InChIInChI=1S/C14H20O/c1-9-4-3-5-14-7-10-6-11(12(9)14)15-13(10,2)8-14/h3,5,9-12H,4,6-8H2,1-2H3/t9?,10-,11+,12-,13+,14+/m1/s1
InChIKeyUHQIKMOUVFIDPV-AKIKKLFKSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene with MolForge

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Related Compounds

(1S,6R,7S,9S,10S)-9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-one
CID 46913874
(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
(4S,9S)-9,13-dimethyl-5,12-dioxapentacyclo[11.2.1.111,14.01,10.04,9]heptadec-2-en-6-one
CID 139249544
ethyl (1S,4R,5S,6R,7S,9S,10S)-4-methoxy-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene-5-carboxylate
CID 25212583
(1S,3S,5S,7S,9S)-3,9-dimethyl-2-oxatricyclo[3.3.1.03,7]nonane
CID 155589435
9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]trideca-2,5-dien-4-one
CID 74109618
3,3,4,4,5-pentamethylcyclohexene
CID 123783117
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzamide
CID 25111663
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
(4S)-3,3,4-trimethylcyclopentene
CID 148718226

Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The IUPAC name of (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene (CID 102415613) is (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene.
What is the SMILES notation for (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The canonical SMILES for (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene is CC1CC=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)C2)[C@@H]13.
What is the InChIKey of (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The InChIKey is UHQIKMOUVFIDPV-AKIKKLFKSA-N. The full InChI is InChI=1S/C14H20O/c1-9-4-3-5-14-7-10-6-11(12(9)14)15-13(10,2)8-14/h3,5,9-12H,4,6-8H2,1-2H3/t9?,10-,11+,12-,13+,14+/m1/s1.
What are the key properties of (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
(1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene has a molecular weight of 204.31 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,9S,10S)-5,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene is sourced from PubChem (CID 102415613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).