2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane

C15H24O2 — CID 175940462

IUPAC2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
SMILESCC1=CC2C[C@H](C3OCCO3)[C@H]1C[C@@H]2C(C)C
InChIInChI=1S/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3/t11?,12-,13+,14+/m1/s1
InChIKeyQSWPBUXWYKVPMT-LHBNMAMBSA-N
MW236.35 g/mol
LogP3.23
Rot. Bonds2

About 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane

2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane (PubChem CID 175940462) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
PubChem CID175940462
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
SMILESCC1=CC2C[C@H](C3OCCO3)[C@H]1C[C@@H]2C(C)C
InChIInChI=1S/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3/t11?,12-,13+,14+/m1/s1
InChIKeyQSWPBUXWYKVPMT-LHBNMAMBSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane with MolForge

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Related Compounds

(1R,2S,4R)-6-methyl-8-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 70990422
2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
CID 130985864
(1R,2S,6R,7R)-8-methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 177409238
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
(1R,4R,5S,8R)-6,8-dimethyl-4-propan-2-yl-3-oxabicyclo[3.3.1]non-6-ene
CID 21174106
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 168806691
(1S,2R,6R,7R)-8-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98048250
4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 3437714
(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 98615069
(1S,2S,6S,7S)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 98043508
4,14-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 90814993
2-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 764100

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane (CID 175940462) is 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane is CC1=CC2C[C@H](C3OCCO3)[C@H]1C[C@@H]2C(C)C.
What is the InChIKey of 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane?
The InChIKey is QSWPBUXWYKVPMT-LHBNMAMBSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3/t11?,12-,13+,14+/m1/s1.
What are the key properties of 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane?
2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane is sourced from PubChem (CID 175940462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).