(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol

C8H18O3 — CID 101465372

IUPAC(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
SMILESCOCO[C@@H](C)[C@@H](C)CCO
InChIInChI=1S/C8H18O3/c1-7(4-5-9)8(2)11-6-10-3/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyIPHBVMNHGZZQLG-YUMQZZPRSA-N
MW162.23 g/mol
LogP1.01
Rot. Bonds6

About (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol

(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol (PubChem CID 101465372) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
PubChem CID101465372
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
SMILESCOCO[C@@H](C)[C@@H](C)CCO
InChIInChI=1S/C8H18O3/c1-7(4-5-9)8(2)11-6-10-3/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyIPHBVMNHGZZQLG-YUMQZZPRSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol
CID 101370806
(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol
CID 101370808
1-Butanol, 3-(1-ethoxyethoxy)-2-ethyl-
CID 544702
4-(Methoxymethoxy)pentan-1-ol
CID 20708601
3-Methylpentan-2-yloxymethanol
CID 53653002
2-(Methoxymethoxy)-3-methylpentan-1-ol
CID 54465931
(3S)-9-(methoxymethoxy)-2-methylnon-4-yn-3-ol
CID 59063188
(2-Ethyl-4-methoxybutoxy)methanol
CID 60011142
(2R)-4,4-diethoxy-2-ethylbutan-1-ol
CID 60051160
3-Ethyl-5-methoxypentan-2-ol
CID 61749755
3-Ethylpentoxymethanediol
CID 87989983
4-Ethylhexan-2-yloxymethanediol
CID 88778907

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol?
The IUPAC name of (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol (CID 101465372) is (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol.
What is the SMILES notation for (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol?
The canonical SMILES for (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol is COCO[C@@H](C)[C@@H](C)CCO.
What is the InChIKey of (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol?
The InChIKey is IPHBVMNHGZZQLG-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(4-5-9)8(2)11-6-10-3/h7-9H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol?
(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol is sourced from PubChem (CID 101465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).