(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol

C8H16O2 — CID 59911274

IUPAC(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol
SMILESC=C[C@](O)(COC)C(C)C
InChIInChI=1S/C8H16O2/c1-5-8(9,6-10-4)7(2)3/h5,7,9H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyAQLYQAOZQOGLAC-QMMMGPOBSA-N
MW144.21 g/mol
LogP1.21
Rot. Bonds4

About (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol

(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol (PubChem CID 59911274) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol
PubChem CID59911274
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol
SMILESC=C[C@](O)(COC)C(C)C
InChIInChI=1S/C8H16O2/c1-5-8(9,6-10-4)7(2)3/h5,7,9H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyAQLYQAOZQOGLAC-QMMMGPOBSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[Difluoro(3-fluoropropoxy)methyl]-4-methylhexa-1,5-dien-3-ol
CID 124170581
2-Methoxy-2-propan-2-ylpent-4-en-1-ol
CID 23384820
3-(2-Hydroxyethoxymethyl)pent-1-en-3-ol
CID 23505030
5-Ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol
CID 57299979
(2S)-2-methoxy-2-propan-2-ylpent-4-en-1-ol
CID 59039528
(2R)-2-methoxy-2-propan-2-ylpent-4-en-1-ol
CID 59911388
4-Ethoxy-4-ethyl-5-methylhex-1-en-3-ol
CID 88835222
4-Methoxy-4-methylhex-1-en-3-ol
CID 89178832
3-(Butoxymethyl)penta-1,4-dien-3-ol
CID 121454108
3-[[2,3-Bis(ethenyl)-2,3-dihydroxypent-4-enoxy]methyl]-4-ethenylhexa-1,5-diene-3,4-diol
CID 139720621
3-(2-Ethoxyethoxymethyl)pent-1-en-3-ol
CID 140333098
1-(2-Methylpropoxy)-2-(2-methylpropoxymethyl)pent-4-en-2-ol
CID 176894837

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol?
The IUPAC name of (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol (CID 59911274) is (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol.
What is the SMILES notation for (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol?
The canonical SMILES for (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol is C=C[C@](O)(COC)C(C)C.
What is the InChIKey of (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol?
The InChIKey is AQLYQAOZQOGLAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-8(9,6-10-4)7(2)3/h5,7,9H,1,6H2,2-4H3/t8-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol?
(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol is sourced from PubChem (CID 59911274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).