(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene

C15H24O — CID 14467453

IUPAC(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene
SMILESC=C/C(C)=C/OCC(C)[C@H]1C=C[C@H](C)CC1
InChIInChI=1S/C15H24O/c1-5-12(2)10-16-11-14(4)15-8-6-13(3)7-9-15/h5-6,8,10,13-15H,1,7,9,11H2,2-4H3/b12-10+/t13-,14?,15-/m0/s1
InChIKeyNWAMSYYOFGDUOR-DFEFFFPBSA-N
MW220.36 g/mol
LogP4.33
Rot. Bonds5

About (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene

(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene (PubChem CID 14467453) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene.

Molecular Properties

Compound Name(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene
PubChem CID14467453
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene
SMILESC=C/C(C)=C/OCC(C)[C@H]1C=C[C@H](C)CC1
InChIInChI=1S/C15H24O/c1-5-12(2)10-16-11-14(4)15-8-6-13(3)7-9-15/h5-6,8,10,13-15H,1,7,9,11H2,2-4H3/b12-10+/t13-,14?,15-/m0/s1
InChIKeyNWAMSYYOFGDUOR-DFEFFFPBSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Fluoro-1-methoxypropan-2-yl)cyclohexene
CID 89383945
Citronellyl vinyl ether
CID 22320909
7-Methoxymethyl-2-menthene
CID 129802620
(1r,4r)-7-Methoxymethyl-2-menthene
CID 129802658
(1S,6R)-6-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3-oxabicyclo[4.1.0]hept-4-ene
CID 162397103
1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
(5R,6S)-5-(5-methoxypentyl)-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 153663179
5-(4-Methoxybutyl)-6-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 162562366
1-[(2S)-2,3-dimethylbut-3-enyl]-4-(1-fluoroethoxy)cyclohexa-1,3-diene
CID 172238174
4-butyl-3,4-dihydro-2H-pyran
CID 15353587
4-(Methoxymethyl)-1-methylcyclohexene
CID 12523889
1-Methoxy-3-methyl-6-propan-2-ylcyclohexene
CID 20071926

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene?
The IUPAC name of (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene (CID 14467453) is (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene.
What is the SMILES notation for (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene?
The canonical SMILES for (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene is C=C/C(C)=C/OCC(C)[C@H]1C=C[C@H](C)CC1.
What is the InChIKey of (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene?
The InChIKey is NWAMSYYOFGDUOR-DFEFFFPBSA-N. The full InChI is InChI=1S/C15H24O/c1-5-12(2)10-16-11-14(4)15-8-6-13(3)7-9-15/h5-6,8,10,13-15H,1,7,9,11H2,2-4H3/b12-10+/t13-,14?,15-/m0/s1.
What are the key properties of (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene?
(3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene has a molecular weight of 220.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-methyl-6-[1-[(1E)-2-methylbuta-1,3-dienoxy]propan-2-yl]cyclohexene is sourced from PubChem (CID 14467453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).