(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol

C10H18O3 — CID 11344440

IUPAC(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol
SMILESC=C(CO)[C@@H](CCO)/C(=C\C)CO
InChIInChI=1S/C10H18O3/c1-3-9(7-13)10(4-5-11)8(2)6-12/h3,10-13H,2,4-7H2,1H3/b9-3-/t10-/m1/s1
InChIKeyPCOPMRRLQSGMJF-KSXVILFYSA-N
MW186.25 g/mol
LogP0.47
Rot. Bonds6

About (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol

(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol (PubChem CID 11344440) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol.

Molecular Properties

Compound Name(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol
PubChem CID11344440
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol
SMILESC=C(CO)[C@@H](CCO)/C(=C\C)CO
InChIInChI=1S/C10H18O3/c1-3-9(7-13)10(4-5-11)8(2)6-12/h3,10-13H,2,4-7H2,1H3/b9-3-/t10-/m1/s1
InChIKeyPCOPMRRLQSGMJF-KSXVILFYSA-N
XLogP0.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylbut-2-en-1-ol
CID 76567926
2-ethenyl-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol
CID 72814776
3-bromo-2-methylidenebutan-1-ol
CID 174781172
(2S)-2-methyl-3-methylidenebutane-1,4-diol
CID 89028928
3,4-dimethylpent-4-en-1-ol
CID 14417455
methyl 3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-4-enoate
CID 163061148
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
calcium;hydride;3-methylbutan-1-ol
CID 174734037
butane-1,3-diol
CID 159666523
sodium;hydride;3-methylbutan-1-ol
CID 173128134
(E)-4-methyl-2-[(Z)-prop-1-enyl]hex-2-ene-1,6-diol
CID 88575633
6-methyl-3-propan-2-ylhepta-4,6-dien-1-ol
CID 54173872

Frequently Asked Questions

What is the IUPAC name of (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol?
The IUPAC name of (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol (CID 11344440) is (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol.
What is the SMILES notation for (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol?
The canonical SMILES for (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol is C=C(CO)[C@@H](CCO)/C(=C\C)CO.
What is the InChIKey of (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol?
The InChIKey is PCOPMRRLQSGMJF-KSXVILFYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-9(7-13)10(4-5-11)8(2)6-12/h3,10-13H,2,4-7H2,1H3/b9-3-/t10-/m1/s1.
What are the key properties of (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol?
(2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol has a molecular weight of 186.25 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3R)-2-ethylidene-3-(2-hydroxyethyl)-4-methylidenepentane-1,5-diol is sourced from PubChem (CID 11344440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).