(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene

C12H18O — CID 24776745

IUPAC(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene
SMILESCC1=C[C@H]2[C@]3(C)CO[C@@]2(C)C[C@H]1C3
InChIInChI=1S/C12H18O/c1-8-4-10-11(2)5-9(8)6-12(10,3)13-7-11/h4,9-10H,5-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKeyDJGPZANLMIFARJ-RHYQMDGZSA-N
MW178.27 g/mol
LogP2.77
Rot. Bonds

About (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene

(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene (PubChem CID 24776745) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene.

Molecular Properties

Compound Name(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene
PubChem CID24776745
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene
SMILESCC1=C[C@H]2[C@]3(C)CO[C@@]2(C)C[C@H]1C3
InChIInChI=1S/C12H18O/c1-8-4-10-11(2)5-9(8)6-12(10,3)13-7-11/h4,9-10H,5-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKeyDJGPZANLMIFARJ-RHYQMDGZSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene?
The IUPAC name of (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene (CID 24776745) is (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene.
What is the SMILES notation for (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene?
The canonical SMILES for (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene is CC1=C[C@H]2[C@]3(C)CO[C@@]2(C)C[C@H]1C3.
What is the InChIKey of (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene?
The InChIKey is DJGPZANLMIFARJ-RHYQMDGZSA-N. The full InChI is InChI=1S/C12H18O/c1-8-4-10-11(2)5-9(8)6-12(10,3)13-7-11/h4,9-10H,5-7H2,1-3H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene?
(1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene has a molecular weight of 178.27 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R,7S)-3,6,9-trimethyl-4-oxatricyclo[4.3.1.03,7]dec-8-ene is sourced from PubChem (CID 24776745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).