(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene

C15H22O2 — CID 138964086

IUPAC(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene
SMILESC#CC(OC)O[C@H]1C(C)=CC[C@@H](C(=C)C)[C@@H]1C
InChIInChI=1S/C15H22O2/c1-7-14(16-6)17-15-11(4)8-9-13(10(2)3)12(15)5/h1,8,12-15H,2,9H2,3-6H3/t12-,13-,14?,15-/m0/s1
InChIKeyDLXHISVQYIWNQT-NZATWWQASA-N
MW234.34 g/mol
LogP3.16
Rot. Bonds4

About (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene

(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 138964086) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene
PubChem CID138964086
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene
SMILESC#CC(OC)O[C@H]1C(C)=CC[C@@H](C(=C)C)[C@@H]1C
InChIInChI=1S/C15H22O2/c1-7-14(16-6)17-15-11(4)8-9-13(10(2)3)12(15)5/h1,8,12-15H,2,9H2,3-6H3/t12-,13-,14?,15-/m0/s1
InChIKeyDLXHISVQYIWNQT-NZATWWQASA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene with MolForge

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Related Compounds

Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
6,6-Diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 10466207
5-(1-Ethoxyethoxy)-4,8-dimethylnon-3-ene
CID 53776642
(4R,6S)-6-(2-bromo-1-ethoxyethoxy)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 57207982
(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
CID 58241354
(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
CID 59026964
(2S,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
CID 68331063
2-(2,6-dimethylhept-5-enyl)-6-methoxy-3,6-dihydro-2H-pyran
CID 68708529
1-(Diethoxymethyl)-4-prop-1-en-2-ylcyclohexene
CID 70404962
2-Butyl-4-(2-methylprop-1-enyl)-6-propan-2-yl-1,3-dioxane
CID 70821701
3-(1-Ethoxyethoxy)-2,4,7-trimethylocta-1,6-diene
CID 121396018
3-(1-Ethoxyethoxy)-6-ethylcyclohexene
CID 123637853

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene (CID 138964086) is (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene is C#CC(OC)O[C@H]1C(C)=CC[C@@H](C(=C)C)[C@@H]1C.
What is the InChIKey of (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is DLXHISVQYIWNQT-NZATWWQASA-N. The full InChI is InChI=1S/C15H22O2/c1-7-14(16-6)17-15-11(4)8-9-13(10(2)3)12(15)5/h1,8,12-15H,2,9H2,3-6H3/t12-,13-,14?,15-/m0/s1.
What are the key properties of (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene?
(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 234.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 138964086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).