(1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene

C14H20O2 — CID 11183610

IUPAC(1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
SMILESC=C(C)[C@H]1C[C@@H]2C=C[C@H]1[C@H]1OC(C)(C)O[C@H]12
InChIInChI=1S/C14H20O2/c1-8(2)11-7-9-5-6-10(11)13-12(9)15-14(3,4)16-13/h5-6,9-13H,1,7H2,2-4H3/t9-,10+,11+,12-,13+/m0/s1
InChIKeyINYZNNMVLWWNPD-CKIKVBCHSA-N
MW220.31 g/mol
LogP2.90
Rot. Bonds1

About (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene

(1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene (PubChem CID 11183610) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene.

Molecular Properties

Compound Name(1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
PubChem CID11183610
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
SMILESC=C(C)[C@H]1C[C@@H]2C=C[C@H]1[C@H]1OC(C)(C)O[C@H]12
InChIInChI=1S/C14H20O2/c1-8(2)11-7-9-5-6-10(11)13-12(9)15-14(3,4)16-13/h5-6,9-13H,1,7H2,2-4H3/t9-,10+,11+,12-,13+/m0/s1
InChIKeyINYZNNMVLWWNPD-CKIKVBCHSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
The IUPAC name of (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene (CID 11183610) is (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene.
What is the SMILES notation for (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
The canonical SMILES for (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene is C=C(C)[C@H]1C[C@@H]2C=C[C@H]1[C@H]1OC(C)(C)O[C@H]12.
What is the InChIKey of (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
The InChIKey is INYZNNMVLWWNPD-CKIKVBCHSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)11-7-9-5-6-10(11)13-12(9)15-14(3,4)16-13/h5-6,9-13H,1,7H2,2-4H3/t9-,10+,11+,12-,13+/m0/s1.
What are the key properties of (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
(1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene has a molecular weight of 220.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7R,10S)-4,4-dimethyl-10-prop-1-en-2-yl-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene is sourced from PubChem (CID 11183610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).