(4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid

C14H24O4 — CID 10999680

IUPAC(4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid
SMILESC=C(C)[C@H](CCC1(C)OCCO1)C(C)CC(=O)O
InChIInChI=1S/C14H24O4/c1-10(2)12(11(3)9-13(15)16)5-6-14(4)17-7-8-18-14/h11-12H,1,5-9H2,2-4H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyVLHGEWNMAPTUCI-KIYNQFGBSA-N
MW256.34 g/mol
LogP2.83
Rot. Bonds7

About (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid

(4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid (PubChem CID 10999680) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid.

Molecular Properties

Compound Name(4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid
PubChem CID10999680
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid
SMILESC=C(C)[C@H](CCC1(C)OCCO1)C(C)CC(=O)O
InChIInChI=1S/C14H24O4/c1-10(2)12(11(3)9-13(15)16)5-6-14(4)17-7-8-18-14/h11-12H,1,5-9H2,2-4H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyVLHGEWNMAPTUCI-KIYNQFGBSA-N
XLogP2.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid?
The IUPAC name of (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid (CID 10999680) is (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid.
What is the SMILES notation for (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid?
The canonical SMILES for (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid is C=C(C)[C@H](CCC1(C)OCCO1)C(C)CC(=O)O.
What is the InChIKey of (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid?
The InChIKey is VLHGEWNMAPTUCI-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(2)12(11(3)9-13(15)16)5-6-14(4)17-7-8-18-14/h11-12H,1,5-9H2,2-4H3,(H,15,16)/t11?,12-/m0/s1.
What are the key properties of (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid?
(4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid has a molecular weight of 256.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-5-enoic acid is sourced from PubChem (CID 10999680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).