(1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane

C15H24O — CID 11908458

IUPAC(1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
SMILESC=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m0/s1
InChIKeyNVEQFIOZRFFVFW-ABHRYQDASA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane

(1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane (PubChem CID 11908458) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane.

Molecular Properties

Compound Name(1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
PubChem CID11908458
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
SMILESC=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m0/s1
InChIKeyNVEQFIOZRFFVFW-ABHRYQDASA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane?
The IUPAC name of (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane (CID 11908458) is (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane.
What is the SMILES notation for (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane?
The canonical SMILES for (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane is C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C.
What is the InChIKey of (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane?
The InChIKey is NVEQFIOZRFFVFW-ABHRYQDASA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m0/s1.
What are the key properties of (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane?
(1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,10R)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane is sourced from PubChem (CID 11908458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).