(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol

C13H24O3 — CID 53305073

IUPAC(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol
SMILESC=CC[C@@H](O)[C@H](CCC=C(C)C)OCOC
InChIInChI=1S/C13H24O3/c1-5-7-12(14)13(16-10-15-4)9-6-8-11(2)3/h5,8,12-14H,1,6-7,9-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyNWKXYRWHWCTJNT-OLZOCXBDSA-N
MW228.33 g/mol
LogP2.66
Rot. Bonds9

About (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol

(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol (PubChem CID 53305073) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol
PubChem CID53305073
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol
SMILESC=CC[C@@H](O)[C@H](CCC=C(C)C)OCOC
InChIInChI=1S/C13H24O3/c1-5-7-12(14)13(16-10-15-4)9-6-8-11(2)3/h5,8,12-14H,1,6-7,9-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyNWKXYRWHWCTJNT-OLZOCXBDSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.66
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

(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(E,2R)-1-(methoxymethoxy)dec-3-en-2-ol
CID 24746021
5-Methoxymethoxy-9-methyl-dec-8-ene-2,4-diol
CID 53305210
2-Methoxymethoxy-6-methyl-hept-5-en-1-ol
CID 53305655
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
CID 102478541
(1S,4Z,8S)-8-(2-methoxyethoxymethoxy)cyclooct-4-en-1-ol
CID 10513650
(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol
CID 11390251
(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 20531398
(E,2R,3R)-2-(ethoxymethoxy)-3-methylhept-5-en-1-ol
CID 22842378

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol?
The IUPAC name of (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol (CID 53305073) is (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol.
What is the SMILES notation for (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol?
The canonical SMILES for (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol is C=CC[C@@H](O)[C@H](CCC=C(C)C)OCOC.
What is the InChIKey of (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol?
The InChIKey is NWKXYRWHWCTJNT-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-7-12(14)13(16-10-15-4)9-6-8-11(2)3/h5,8,12-14H,1,6-7,9-10H2,2-4H3/t12-,13+/m1/s1.
What are the key properties of (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol?
(4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol has a molecular weight of 228.33 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(methoxymethoxy)-9-methyldeca-1,8-dien-4-ol is sourced from PubChem (CID 53305073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).