(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol

C18H30O5 — CID 101386020

IUPAC(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)[C@](CCC2(C)OCCO2)(C2(C)OCCO2)C1
InChIInChI=1S/C18H30O5/c1-13(2)14-11-15(19)18(12-14,17(4)22-9-10-23-17)6-5-16(3)20-7-8-21-16/h14-15,19H,1,5-12H2,2-4H3/t14-,15-,18-/m1/s1
InChIKeyUXMCQWIUJSNLPR-IIDMSEBBSA-N
MW326.43 g/mol
LogP2.63
Rot. Bonds5

About (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol

(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 101386020) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID101386020
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)[C@](CCC2(C)OCCO2)(C2(C)OCCO2)C1
InChIInChI=1S/C18H30O5/c1-13(2)14-11-15(19)18(12-14,17(4)22-9-10-23-17)6-5-16(3)20-7-8-21-16/h14-15,19H,1,5-12H2,2-4H3/t14-,15-,18-/m1/s1
InChIKeyUXMCQWIUJSNLPR-IIDMSEBBSA-N
XLogP2.63
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol with MolForge

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Related Compounds

[(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentyl] benzoate
CID 101386021
2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
CID 130120416
(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
CID 124637804
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 46782226
4-[(6R,9R)-6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-6-yl]butanenitrile
CID 10355401
(1R,2S,3R,5R)-1-[(2R)-but-3-en-2-yl]-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclohexane-1,3-diol
CID 11357550
Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
CID 13496983
2-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681
1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,2,4-triol
CID 162838745
(1R,3R,4aR,5R,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,5,8-hexahydronaphthalene-1,4a-diol
CID 11322328
(3Z)-3-hydroxyimino-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-ol
CID 134933148

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol (CID 101386020) is (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)[C@@H]1C[C@@H](O)[C@](CCC2(C)OCCO2)(C2(C)OCCO2)C1.
What is the InChIKey of (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is UXMCQWIUJSNLPR-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H30O5/c1-13(2)14-11-15(19)18(12-14,17(4)22-9-10-23-17)6-5-16(3)20-7-8-21-16/h14-15,19H,1,5-12H2,2-4H3/t14-,15-,18-/m1/s1.
What are the key properties of (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol?
(1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol has a molecular weight of 326.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 101386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).