(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol

C9H18O3 — CID 44604186

IUPAC(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
SMILESC=C[C@@H](CC[C@@H](C)O)OCOC
InChIInChI=1S/C9H18O3/c1-4-9(12-7-11-3)6-5-8(2)10/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyCCUUMSGNWZCRNT-BDAKNGLRSA-N
MW174.24 g/mol
LogP1.32
Rot. Bonds7

About (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol

(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol (PubChem CID 44604186) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol.

Molecular Properties

Compound Name(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
PubChem CID44604186
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
SMILESC=C[C@@H](CC[C@@H](C)O)OCOC
InChIInChI=1S/C9H18O3/c1-4-9(12-7-11-3)6-5-8(2)10/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyCCUUMSGNWZCRNT-BDAKNGLRSA-N
XLogP1.32
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 ≤ 51.32
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

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CID 24862520
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
methyl (E,4S,7S)-7-hydroxy-4-(methoxymethoxy)oct-2-enoate
CID 42643087
6-methoxyoct-7-en-2-ol
CID 11550053
2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
CID 24862521
(2S)-2-[(7S)-7-(methoxymethoxy)non-8-enyl]oxirane
CID 24862522
ethyl 7-(methoxymethoxy)-3-oxonon-8-enoate
CID 118179619
(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
CID 135016264
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
2-[(3R)-3-(methoxymethoxy)pent-4-enoxy]oxane
CID 134857158
(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
CID 72737093

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol?
The IUPAC name of (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol (CID 44604186) is (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol.
What is the SMILES notation for (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol?
The canonical SMILES for (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol is C=C[C@@H](CC[C@@H](C)O)OCOC.
What is the InChIKey of (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol?
The InChIKey is CCUUMSGNWZCRNT-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-9(12-7-11-3)6-5-8(2)10/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol?
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol has a molecular weight of 174.24 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol is sourced from PubChem (CID 44604186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).