(2S)-2-(methoxymethoxy)hex-5-en-1-ol

C8H16O3 — CID 11506501

IUPAC(2S)-2-(methoxymethoxy)hex-5-en-1-ol
SMILESC=CCC[C@@H](CO)OCOC
InChIInChI=1S/C8H16O3/c1-3-4-5-8(6-9)11-7-10-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyZIMQKQYTQDKYRQ-QMMMGPOBSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds7

About (2S)-2-(methoxymethoxy)hex-5-en-1-ol

(2S)-2-(methoxymethoxy)hex-5-en-1-ol (PubChem CID 11506501) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-(methoxymethoxy)hex-5-en-1-ol.

Molecular Properties

Compound Name(2S)-2-(methoxymethoxy)hex-5-en-1-ol
PubChem CID11506501
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-(methoxymethoxy)hex-5-en-1-ol
SMILESC=CCC[C@@H](CO)OCOC
InChIInChI=1S/C8H16O3/c1-3-4-5-8(6-9)11-7-10-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyZIMQKQYTQDKYRQ-QMMMGPOBSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
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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Related Compounds

2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
4-(methoxymethoxy)non-1-ene
CID 14592865
2-bromo-4-(methoxymethoxy)hepta-1,6-diene
CID 10331623
5,8-bis(prop-2-enoxy)dodeca-1,11-diene
CID 10826482
tributyl-[(1R)-1-(methoxymethoxy)pent-4-enyl]stannane
CID 11774446
ethyl 4-(methoxymethoxy)oct-7-en-2-ynoate
CID 10977177
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
2-methoxypent-4-en-1-ol
CID 90985403
5-methoxy-3-(methoxymethoxy)pentan-1-ol
CID 146175623
3-methoxyhept-6-en-2-one
CID 45085639
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethoxy)hex-5-en-1-ol?
The IUPAC name of (2S)-2-(methoxymethoxy)hex-5-en-1-ol (CID 11506501) is (2S)-2-(methoxymethoxy)hex-5-en-1-ol.
What is the SMILES notation for (2S)-2-(methoxymethoxy)hex-5-en-1-ol?
The canonical SMILES for (2S)-2-(methoxymethoxy)hex-5-en-1-ol is C=CCC[C@@H](CO)OCOC.
What is the InChIKey of (2S)-2-(methoxymethoxy)hex-5-en-1-ol?
The InChIKey is ZIMQKQYTQDKYRQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-5-8(6-9)11-7-10-2/h3,8-9H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(methoxymethoxy)hex-5-en-1-ol?
(2S)-2-(methoxymethoxy)hex-5-en-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethoxy)hex-5-en-1-ol is sourced from PubChem (CID 11506501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).