(2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol

C9H18O3 — CID 175672766

IUPAC(2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol
SMILESC=C[C@H](C)C[C@H](CO)OCOC
InChIInChI=1S/C9H18O3/c1-4-8(2)5-9(6-10)12-7-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKeyLOYUCUAOLBMFEX-DTWKUNHWSA-N
MW174.24 g/mol
LogP1.18
Rot. Bonds7

About (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol

(2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol (PubChem CID 175672766) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol
PubChem CID175672766
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol
SMILESC=C[C@H](C)C[C@H](CO)OCOC
InChIInChI=1S/C9H18O3/c1-4-8(2)5-9(6-10)12-7-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKeyLOYUCUAOLBMFEX-DTWKUNHWSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol?
The IUPAC name of (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol (CID 175672766) is (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol.
What is the SMILES notation for (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol?
The canonical SMILES for (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol is C=C[C@H](C)C[C@H](CO)OCOC.
What is the InChIKey of (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol?
The InChIKey is LOYUCUAOLBMFEX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-8(2)5-9(6-10)12-7-11-3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol?
(2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(methoxymethoxy)-4-methylhex-5-en-1-ol is sourced from PubChem (CID 175672766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).