(1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane

C15H24O — CID 15330907

IUPAC(1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane
SMILESC=C1CCCC(C)(C)[C@@H]2[C@H]1CC[C@@]1(C)O[C@@H]21
InChIInChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
InChIKeyIDPWZSRSXPEMOS-SFDCQRBFSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane

(1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane (PubChem CID 15330907) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane.

Molecular Properties

Compound Name(1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane
PubChem CID15330907
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane
SMILESC=C1CCCC(C)(C)[C@@H]2[C@H]1CC[C@@]1(C)O[C@@H]21
InChIInChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
InChIKeyIDPWZSRSXPEMOS-SFDCQRBFSA-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'}

Analyze (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane with MolForge

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Related Compounds

Limonene oxide
CID 91496
Limonene-1,2-epoxide
CID 441245
(+)-trans-Limonene oxide
CID 449290
cis-(+)-Limonene oxide
CID 6857487
Limonene oxide, (-)-
CID 10953718
Limonene oxide, cis-(-)-
CID 6452061
Limonene oxide, trans-(-)-
CID 8029780
(1aS,4S,4aR,6R,8aR)-4,4a-dimethyl-6-prop-1-en-2-yl-1a,2,3,4,5,6,7,8-octahydronaphtho[1,8a-b]oxirene
CID 16091631
(1aS,3aS,7aS,7bS)-3a,7-dimethyl-1a-propan-2-yl-2,3,4,5,7a,7b-hexahydronaphtho[1,2-b]oxirene
CID 21586137
Npc275706
CID 6432653
trans-Limonene-1,2-oxide
CID 53713586
4-Isopropenyl-4,7-dimethyl-1-oxaspiro[2.5]octane
CID 543441

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane?
The IUPAC name of (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane (CID 15330907) is (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane.
What is the SMILES notation for (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane?
The canonical SMILES for (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane is C=C1CCCC(C)(C)[C@@H]2[C@H]1CC[C@@]1(C)O[C@@H]21.
What is the InChIKey of (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane?
The InChIKey is IDPWZSRSXPEMOS-SFDCQRBFSA-N. The full InChI is InChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1.
What are the key properties of (1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane?
(1S,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]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,2S,4R,7R)-4,12,12-trimethyl-8-methylidene-3-oxatricyclo[5.5.0.02,4]dodecane is sourced from PubChem (CID 15330907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).