(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane

C13H22O2 — CID 10036035

IUPAC(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane
SMILESC=CCO[C@@H]1CC[C@H](C)C[C@H]1OCC=C
InChIInChI=1S/C13H22O2/c1-4-8-14-12-7-6-11(3)10-13(12)15-9-5-2/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12+,13+/m0/s1
InChIKeyLSCNFCRNXXUKNF-YNEHKIRRSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds6

About (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane

(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane (PubChem CID 10036035) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane.

Molecular Properties

Compound Name(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane
PubChem CID10036035
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane
SMILESC=CCO[C@@H]1CC[C@H](C)C[C@H]1OCC=C
InChIInChI=1S/C13H22O2/c1-4-8-14-12-7-6-11(3)10-13(12)15-9-5-2/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12+,13+/m0/s1
InChIKeyLSCNFCRNXXUKNF-YNEHKIRRSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1s,2s)-1-Methyl-4-(propan-2-yl)-1,2-bis(prop-2-en-1-yloxy)cyclohexane
CID 134158470
(1s,2s)-1-Methyl-1,2-bis(prop-2-en-1-yloxy)-cyclohexane
CID 134158789
1-Methyl-4-prop-2-enoxycyclohexane
CID 23381126
2-Methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane
CID 57304118
cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane
CID 59659178
1-Methyl-3-prop-2-enoxycyclohexane
CID 90739915
2-Butan-2-yloxy-4-methyl-1-prop-2-enoxyhexane
CID 130449548
1,3-Dimethyl-5-prop-2-enoxycyclohexane
CID 140460139
cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane;propane
CID 144642711
cis-(1R,3S)-1-methyl-3-prop-2-enoxycyclohexane
CID 144642712
1-Ethoxy-3-(prop-2-enoxymethyl)cyclohexane
CID 155668399
1-Ethyl-4-prop-2-enoxycyclohexane
CID 163991931

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
The IUPAC name of (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane (CID 10036035) is (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane.
What is the SMILES notation for (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
The canonical SMILES for (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane is C=CCO[C@@H]1CC[C@H](C)C[C@H]1OCC=C.
What is the InChIKey of (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
The InChIKey is LSCNFCRNXXUKNF-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-8-14-12-7-6-11(3)10-13(12)15-9-5-2/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12+,13+/m0/s1.
What are the key properties of (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane?
(1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane has a molecular weight of 210.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-methyl-1,2-bis(prop-2-enoxy)cyclohexane is sourced from PubChem (CID 10036035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).