(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane

C15H24O — CID 134964267

IUPAC(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
SMILESCC1=CCC2([C@H](C)CC[C@@H]3OC3(C)C)C[C@H]12
InChIInChI=1S/C15H24O/c1-10-7-8-15(9-12(10)15)11(2)5-6-13-14(3,4)16-13/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15?/m1/s1
InChIKeyMAJHBVOOMZYAJX-DPORPMIOSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds4

About (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane

(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane (PubChem CID 134964267) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
PubChem CID134964267
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
SMILESCC1=CCC2([C@H](C)CC[C@@H]3OC3(C)C)C[C@H]12
InChIInChI=1S/C15H24O/c1-10-7-8-15(9-12(10)15)11(2)5-6-13-14(3,4)16-13/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15?/m1/s1
InChIKeyMAJHBVOOMZYAJX-DPORPMIOSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane with MolForge

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Related Compounds

2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
(1S,4S,5S,12R,15S)-15-Isopropenyl-4,9,12-trimethyl-5-oxa-tricyclo[10.3.0.0(4,6)]pentadec-9-ene
CID 51040057
(1R,3S,5S,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene
CID 53320097
(1S,4S,6S,9E,12R,15R)-4,9,12-trimethyl-15-prop-1-en-2-yl-5-oxatricyclo[10.3.0.04,6]pentadec-9-ene
CID 10541394
Madolin C
CID 10726986
(1S,2S,5S,7S,11S)-2,5-dimethyl-10-methylidene-2-(4-methylpent-3-enyl)-6-oxatricyclo[9.1.0.05,7]dodecane
CID 16744478
(1R,3S,5S,8E,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene
CID 51040053
Spiro[bicyclo[7.2.0]undec-5-ene-2,2'-oxirane], 6,10,10-trimethyl-, [1S-(1R*,2S*,5E,9S*)]-
CID 162967750
3,15-Epoxy-6-caryophyllene
CID 14589073
2,5-Dimethyl-10-methylidene-2-(4-methylpent-3-enyl)-6-oxatricyclo[9.1.0.05,7]dodecane
CID 73319130
(1S,4S,6S,12R,15S)-4,9,12-trimethyl-15-prop-1-en-2-yl-5-oxatricyclo[10.3.0.04,6]pentadec-9-ene
CID 162887588
(3S)-2,2-dimethyl-3-[(3S)-3-[(1R)-4-methylidenecyclohex-2-en-1-yl]butyl]oxirane
CID 162918214

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
The IUPAC name of (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane (CID 134964267) is (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane.
What is the SMILES notation for (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
The canonical SMILES for (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane is CC1=CCC2([C@H](C)CC[C@@H]3OC3(C)C)C[C@H]12.
What is the InChIKey of (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
The InChIKey is MAJHBVOOMZYAJX-DPORPMIOSA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-8-15(9-12(10)15)11(2)5-6-13-14(3,4)16-13/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15?/m1/s1.
What are the key properties of (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
(3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-3-[(3R)-3-[(5R)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane is sourced from PubChem (CID 134964267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).