(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane

C15H24O — CID 162965550

IUPAC(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane
SMILESC=C(CC[C@H]1OC1(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11-5-8-13(9-6-11)12(2)7-10-14-15(3,4)16-14/h5,13-14H,2,6-10H2,1,3-4H3/t13-,14+/m0/s1
InChIKeyMGENYQSHSWSTRW-UONOGXRCSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds4

About (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane

(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane (PubChem CID 162965550) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane
PubChem CID162965550
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane
SMILESC=C(CC[C@H]1OC1(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-11-5-8-13(9-6-11)12(2)7-10-14-15(3,4)16-14/h5,13-14H,2,6-10H2,1,3-4H3/t13-,14+/m0/s1
InChIKeyMGENYQSHSWSTRW-UONOGXRCSA-N
XLogP4.25
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 ≤ 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'}

Analyze (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane with MolForge

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Launch Full Analysis

Related Compounds

Humulene epoxide II
CID 23274265
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
Epoxy (1,11)humulene
CID 5363694
(-)-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
Alpha-Humulene Epoxide
CID 14038843
Humulene epoxyde
CID 5463721
(4E,7E)-1,5,9,9-Tetramethyl-12-oxabicyclo(9.1.0)dodeca-4,7-diene
CID 22559443
2-Methyl-2-(4-methyl-pent-3-enyl)-3-[(3E,7E)-3,8,12-trimethyl-14-(3-methyl-oxiranyl)-tetradeca-3,7-dienyl]-oxirane
CID 44306332
2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-vinyl-henicosa-7,11,15,19-tetraenyl)-oxirane
CID 44306333
Epoxycembrene A
CID 10859180

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane?
The IUPAC name of (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane (CID 162965550) is (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane.
What is the SMILES notation for (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane?
The canonical SMILES for (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane is C=C(CC[C@H]1OC1(C)C)[C@H]1CC=C(C)CC1.
What is the InChIKey of (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane?
The InChIKey is MGENYQSHSWSTRW-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-8-13(9-6-11)12(2)7-10-14-15(3,4)16-14/h5,13-14H,2,6-10H2,1,3-4H3/t13-,14+/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane?
(3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane has a molecular weight of 220.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-[3-[(1R)-4-methylcyclohex-3-en-1-yl]but-3-enyl]oxirane is sourced from PubChem (CID 162965550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).