(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane

C15H24O — CID 91749653

IUPAC(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane
SMILESCC(C)=CC[C@H]1O[C@@]1(C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13?,14-,15+/m1/s1
InChIKeyPBNXUEQZNAEDOI-DMJDIKPUSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds3

About (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane

(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane (PubChem CID 91749653) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane
PubChem CID91749653
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane
SMILESCC(C)=CC[C@H]1O[C@@]1(C)C1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13?,14-,15+/m1/s1
InChIKeyPBNXUEQZNAEDOI-DMJDIKPUSA-N
XLogP4.25
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.25
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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Related Compounds

2,2,6-Trimethyl-1-oxaspiro(2.5)oct-5-ene
CID 107303
Humulene epoxide II
CID 23274265
(-)-Humulene epoxide II
CID 10704181
(S-(R*,S*))-2-Methyl-2-(4-methylcyclohex-3-enyl)oxirane
CID 119634
13-Oxabicyclo[10.1.0]trideca-4,8-diene, 1,4,8-trimethyl-
CID 122515
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
Bisabolene oxide
CID 56842615
Humulene epoxyde
CID 5463721
Epoxy (1,11)humulene
CID 5363694
Cyclohexene, 4-ethoxy-1-methyl-4-(1-methylethyl)-
CID 108303
2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
Epoxycembrene A
CID 10859180

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane?
The IUPAC name of (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane (CID 91749653) is (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane.
What is the SMILES notation for (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane?
The canonical SMILES for (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane is CC(C)=CC[C@H]1O[C@@]1(C)C1CC=C(C)CC1.
What is the InChIKey of (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane?
The InChIKey is PBNXUEQZNAEDOI-DMJDIKPUSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13?,14-,15+/m1/s1.
What are the key properties of (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane?
(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane has a molecular weight of 220.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane is sourced from PubChem (CID 91749653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).