2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol

C14H24O5 — CID 118674698

IUPAC2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol
SMILESC=CCC1C(O)C(OC)=C(OC)C(OC)(OC)C1C
InChIInChI=1S/C14H24O5/c1-7-8-10-9(2)14(18-5,19-6)13(17-4)12(16-3)11(10)15/h7,9-11,15H,1,8H2,2-6H3
InChIKeyKGTVXIKRZPRYLB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.68
Rot. Bonds6

About 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol

2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol (PubChem CID 118674698) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol
PubChem CID118674698
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol
SMILESC=CCC1C(O)C(OC)=C(OC)C(OC)(OC)C1C
InChIInChI=1S/C14H24O5/c1-7-8-10-9(2)14(18-5,19-6)13(17-4)12(16-3)11(10)15/h7,9-11,15H,1,8H2,2-6H3
InChIKeyKGTVXIKRZPRYLB-UHFFFAOYSA-N
XLogP1.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol?
The IUPAC name of 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol (CID 118674698) is 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol.
What is the SMILES notation for 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol?
The canonical SMILES for 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol is C=CCC1C(O)C(OC)=C(OC)C(OC)(OC)C1C.
What is the InChIKey of 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol?
The InChIKey is KGTVXIKRZPRYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-7-8-10-9(2)14(18-5,19-6)13(17-4)12(16-3)11(10)15/h7,9-11,15H,1,8H2,2-6H3.
What are the key properties of 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol?
2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol has a molecular weight of 272.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethoxy-5-methyl-6-prop-2-enylcyclohex-2-en-1-ol is sourced from PubChem (CID 118674698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).