(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol

C10H18O3 — CID 11789929

IUPAC(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol
SMILESCOC[C@@]1(C/C=C\CCO)O[C@@H]1C
InChIInChI=1S/C10H18O3/c1-9-10(13-9,8-12-2)6-4-3-5-7-11/h3-4,9,11H,5-8H2,1-2H3/b4-3-/t9-,10-/m1/s1
InChIKeyCKSLNMQAEVFAIC-HWKXXFMVSA-N
MW186.25 g/mol
LogP1.12
Rot. Bonds6

About (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol

(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol (PubChem CID 11789929) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol
PubChem CID11789929
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol
SMILESCOC[C@@]1(C/C=C\CCO)O[C@@H]1C
InChIInChI=1S/C10H18O3/c1-9-10(13-9,8-12-2)6-4-3-5-7-11/h3-4,9,11H,5-8H2,1-2H3/b4-3-/t9-,10-/m1/s1
InChIKeyCKSLNMQAEVFAIC-HWKXXFMVSA-N
XLogP1.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 11116488
2,3-Epoxy-3,7,11-trimethyl-6,10-dodecadienol
CID 72770693
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10986703
(2S,3S)-2,3-Epoxyfarnesol
CID 11253414
[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
CID 141478985
[(2R,3S)-3-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 11073664
(-)-(S)-(-)-Neroloxid
CID 11126709
{3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl}methanol
CID 14107565
[(2S,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]methanol
CID 14779171

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol?
The IUPAC name of (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol (CID 11789929) is (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol.
What is the SMILES notation for (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol?
The canonical SMILES for (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol is COC[C@@]1(C/C=C\CCO)O[C@@H]1C.
What is the InChIKey of (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol?
The InChIKey is CKSLNMQAEVFAIC-HWKXXFMVSA-N. The full InChI is InChI=1S/C10H18O3/c1-9-10(13-9,8-12-2)6-4-3-5-7-11/h3-4,9,11H,5-8H2,1-2H3/b4-3-/t9-,10-/m1/s1.
What are the key properties of (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol?
(Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pent-3-en-1-ol is sourced from PubChem (CID 11789929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).