(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'}

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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).