(3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol

C11H20O2 — CID 134865012

IUPAC(3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol
SMILESC=C(C)[C@@H](/C=C/C(C)(C)O)COC
InChIInChI=1S/C11H20O2/c1-9(2)10(8-13-5)6-7-11(3,4)12/h6-7,10,12H,1,8H2,2-5H3/b7-6+/t10-/m0/s1
InChIKeyUWOIIOYUNRLVJO-FGEFZZPRSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds5

About (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol

(3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol (PubChem CID 134865012) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol.

Molecular Properties

Compound Name(3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol
PubChem CID134865012
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol
SMILESC=C(C)[C@@H](/C=C/C(C)(C)O)COC
InChIInChI=1S/C11H20O2/c1-9(2)10(8-13-5)6-7-11(3,4)12/h6-7,10,12H,1,8H2,2-5H3/b7-6+/t10-/m0/s1
InChIKeyUWOIIOYUNRLVJO-FGEFZZPRSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol?
The IUPAC name of (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol (CID 134865012) is (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol.
What is the SMILES notation for (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol?
The canonical SMILES for (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol is C=C(C)[C@@H](/C=C/C(C)(C)O)COC.
What is the InChIKey of (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol?
The InChIKey is UWOIIOYUNRLVJO-FGEFZZPRSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)10(8-13-5)6-7-11(3,4)12/h6-7,10,12H,1,8H2,2-5H3/b7-6+/t10-/m0/s1.
What are the key properties of (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol?
(3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R)-5-(methoxymethyl)-2,6-dimethylhepta-3,6-dien-2-ol is sourced from PubChem (CID 134865012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).