(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene

C15H22O — CID 134964201

IUPAC(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene
SMILESCC1(C)OC=C2CC=C[C@@]3(C)CCC1C2C3
InChIInChI=1S/C15H22O/c1-14(2)13-6-8-15(3)7-4-5-11(10-16-14)12(13)9-15/h4,7,10,12-13H,5-6,8-9H2,1-3H3/t12?,13?,15-/m0/s1
InChIKeySFKULGWGQNKSMA-PIMMBPRGSA-N
MW218.34 g/mol
LogP4.06
Rot. Bonds

About (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene

(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene (PubChem CID 134964201) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene.

Molecular Properties

Compound Name(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene
PubChem CID134964201
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene
SMILESCC1(C)OC=C2CC=C[C@@]3(C)CCC1C2C3
InChIInChI=1S/C15H22O/c1-14(2)13-6-8-15(3)7-4-5-11(10-16-14)12(13)9-15/h4,7,10,12-13H,5-6,8-9H2,1-3H3/t12?,13?,15-/m0/s1
InChIKeySFKULGWGQNKSMA-PIMMBPRGSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.06
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 (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene?
The IUPAC name of (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene (CID 134964201) is (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene.
What is the SMILES notation for (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene?
The canonical SMILES for (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene is CC1(C)OC=C2CC=C[C@@]3(C)CCC1C2C3.
What is the InChIKey of (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene?
The InChIKey is SFKULGWGQNKSMA-PIMMBPRGSA-N. The full InChI is InChI=1S/C15H22O/c1-14(2)13-6-8-15(3)7-4-5-11(10-16-14)12(13)9-15/h4,7,10,12-13H,5-6,8-9H2,1-3H3/t12?,13?,15-/m0/s1.
What are the key properties of (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene?
(1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene has a molecular weight of 218.34 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,5,5-trimethyl-6-oxatricyclo[6.3.2.04,13]trideca-7,10-diene is sourced from PubChem (CID 134964201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).