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

C9H18O3 — CID 10058018

IUPAC(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol
SMILESC/C=C/C(OCOC)C(C)(C)O
InChIInChI=1S/C9H18O3/c1-5-6-8(9(2,3)10)12-7-11-4/h5-6,8,10H,7H2,1-4H3/b6-5+
InChIKeyRKYKVOZTRFHMFV-AATRIKPKSA-N
MW174.24 g/mol
LogP1.32
Rot. Bonds5

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

(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol (PubChem CID 10058018) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol.

Molecular Properties

Compound Name(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol
PubChem CID10058018
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol
SMILESC/C=C/C(OCOC)C(C)(C)O
InChIInChI=1S/C9H18O3/c1-5-6-8(9(2,3)10)12-7-11-4/h5-6,8,10H,7H2,1-4H3/b6-5+
InChIKeyRKYKVOZTRFHMFV-AATRIKPKSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 10466332
(5E)-3,3-diethoxynona-1,5-dien-4-ol
CID 10704552
(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol
CID 11346632
(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol
CID 11817654
(5E)-3-(methoxymethoxy)hepta-1,5-dien-4-ol
CID 13025036
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 46186038
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
CID 102514102
(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-ol
CID 129322527
(3R,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930503
(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930959

Frequently Asked Questions

What is the IUPAC name of (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol?
The IUPAC name of (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol (CID 10058018) is (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol.
What is the SMILES notation for (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol?
The canonical SMILES for (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol is C/C=C/C(OCOC)C(C)(C)O.
What is the InChIKey of (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol?
The InChIKey is RKYKVOZTRFHMFV-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-6-8(9(2,3)10)12-7-11-4/h5-6,8,10H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol?
(E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol has a molecular weight of 174.24 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methoxymethoxy)-2-methylhex-4-en-2-ol is sourced from PubChem (CID 10058018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).