(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol

C14H24O3 — CID 101241984

IUPAC(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol
SMILESCOC[C@@H]1[C@H](O)[C@H](C=C(C)C)C=C[C@@H]1COC
InChIInChI=1S/C14H24O3/c1-10(2)7-11-5-6-12(8-16-3)13(9-17-4)14(11)15/h5-7,11-15H,8-9H2,1-4H3/t11-,12+,13-,14+/m0/s1
InChIKeyRWSOCEXEPPUSMW-RFQIPJPRSA-N
MW240.34 g/mol
LogP2.02
Rot. Bonds5

About (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol

(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol (PubChem CID 101241984) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol
PubChem CID101241984
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol
SMILESCOC[C@@H]1[C@H](O)[C@H](C=C(C)C)C=C[C@@H]1COC
InChIInChI=1S/C14H24O3/c1-10(2)7-11-5-6-12(8-16-3)13(9-17-4)14(11)15/h5-7,11-15H,8-9H2,1-4H3/t11-,12+,13-,14+/m0/s1
InChIKeyRWSOCEXEPPUSMW-RFQIPJPRSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol with MolForge

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Related Compounds

(1S,2S,5R,6S)-2-ethyl-5,6-bis(methoxymethyl)cyclohex-3-en-1-ol
CID 10536602
(1S,2S,5R,6S)-2-benzyl-5,6-bis(methoxymethyl)cyclohex-3-en-1-ol
CID 10564416
(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(4-methoxyphenyl)cyclohex-3-en-1-ol
CID 12035097
2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid
CID 70609064
3-butyl-5,6-bis(methoxymethyl)cyclohex-3-ene-1,2-diol
CID 85433438
9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 101038950
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 130145119
(2R,3S)-2,3-bis(methoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 102020985
[(1R,4S,5S)-5-(hydroxymethyl)-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 172645646
5-fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 142855275
(1R,2R,4S,5S,6R,7S)-6,7-bis(methoxymethyl)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 11790205
(2S,4S,6R)-5-amino-2-(hydroxymethyl)-3,6-bis(methoxymethyl)oxan-4-ol
CID 59707793

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol?
The IUPAC name of (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol (CID 101241984) is (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol?
The canonical SMILES for (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol is COC[C@@H]1[C@H](O)[C@H](C=C(C)C)C=C[C@@H]1COC.
What is the InChIKey of (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol?
The InChIKey is RWSOCEXEPPUSMW-RFQIPJPRSA-N. The full InChI is InChI=1S/C14H24O3/c1-10(2)7-11-5-6-12(8-16-3)13(9-17-4)14(11)15/h5-7,11-15H,8-9H2,1-4H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol?
(1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R)-5,6-bis(methoxymethyl)-2-(2-methylprop-1-enyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 101241984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).