4-(methoxymethoxy)-2-methylhex-5-en-3-ol

C9H18O3 — CID 12916901

IUPAC4-(methoxymethoxy)-2-methylhex-5-en-3-ol
SMILESC=CC(OCOC)C(O)C(C)C
InChIInChI=1S/C9H18O3/c1-5-8(12-6-11-4)9(10)7(2)3/h5,7-10H,1,6H2,2-4H3
InChIKeyHOFSRJPVZYDBFJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.18
Rot. Bonds6

About 4-(methoxymethoxy)-2-methylhex-5-en-3-ol

4-(methoxymethoxy)-2-methylhex-5-en-3-ol (PubChem CID 12916901) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-(methoxymethoxy)-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name4-(methoxymethoxy)-2-methylhex-5-en-3-ol
PubChem CID12916901
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name4-(methoxymethoxy)-2-methylhex-5-en-3-ol
SMILESC=CC(OCOC)C(O)C(C)C
InChIInChI=1S/C9H18O3/c1-5-8(12-6-11-4)9(10)7(2)3/h5,7-10H,1,6H2,2-4H3
InChIKeyHOFSRJPVZYDBFJ-UHFFFAOYSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.18
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

4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
CID 12755469
4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(2s,3s)-1-Methoxymethyloxy-3-vinyl-5-hexen-2-ol
CID 21593475
(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
CID 124647096
2-Methyl-4-propan-2-yloxyhex-5-en-3-ol
CID 134905984
(3R,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930503
(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930959
(2r,4r)-2-(Methoxymethoxy)-4-methylhex-5-en-1-ol
CID 175672766
(2R,3S,4S)-4-methoxy-3-(methoxymethoxy)-2-methylhex-5-en-1-ol
CID 57586749
(2R)-2-(1-butoxypent-4-enoxy)-2-methylbut-3-en-1-ol
CID 117815816

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
The IUPAC name of 4-(methoxymethoxy)-2-methylhex-5-en-3-ol (CID 12916901) is 4-(methoxymethoxy)-2-methylhex-5-en-3-ol.
What is the SMILES notation for 4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
The canonical SMILES for 4-(methoxymethoxy)-2-methylhex-5-en-3-ol is C=CC(OCOC)C(O)C(C)C.
What is the InChIKey of 4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
The InChIKey is HOFSRJPVZYDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-8(12-6-11-4)9(10)7(2)3/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
4-(methoxymethoxy)-2-methylhex-5-en-3-ol has a molecular weight of 174.24 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-2-methylhex-5-en-3-ol is sourced from PubChem (CID 12916901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).