(2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol

C10H20O3 — CID 53305655

IUPAC(2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol
SMILESCOCO[C@H](CO)CCC=C(C)C
InChIInChI=1S/C10H20O3/c1-9(2)5-4-6-10(7-11)13-8-12-3/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeySEWPBMTZLYEGQP-JTQLQIEISA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds7

About (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol

(2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol (PubChem CID 53305655) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol.

Molecular Properties

Compound Name(2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol
PubChem CID53305655
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol
SMILESCOCO[C@H](CO)CCC=C(C)C
InChIInChI=1S/C10H20O3/c1-9(2)5-4-6-10(7-11)13-8-12-3/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeySEWPBMTZLYEGQP-JTQLQIEISA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
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 (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol?
The IUPAC name of (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol (CID 53305655) is (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol.
What is the SMILES notation for (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol?
The canonical SMILES for (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol is COCO[C@H](CO)CCC=C(C)C.
What is the InChIKey of (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol?
The InChIKey is SEWPBMTZLYEGQP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2)5-4-6-10(7-11)13-8-12-3/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol?
(2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethoxy)-6-methylhept-5-en-1-ol is sourced from PubChem (CID 53305655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).