(Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol

C15H28O4 — CID 132518843

IUPAC(Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol
SMILESC/C(=C/[C@@H](C)CO)CC[C@@H](O)[C@]1(C)COC(C)(C)O1
InChIInChI=1S/C15H28O4/c1-11(8-12(2)9-16)6-7-13(17)15(5)10-18-14(3,4)19-15/h8,12-13,16-17H,6-7,9-10H2,1-5H3/b11-8-/t12-,13-,15+/m1/s1
InChIKeyVIUTUFIMSXLCIF-FKQRDDPZSA-N
MW272.38 g/mol
LogP2.24
Rot. Bonds6

About (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol

(Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol (PubChem CID 132518843) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol.

Molecular Properties

Compound Name(Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol
PubChem CID132518843
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol
SMILESC/C(=C/[C@@H](C)CO)CC[C@@H](O)[C@]1(C)COC(C)(C)O1
InChIInChI=1S/C15H28O4/c1-11(8-12(2)9-16)6-7-13(17)15(5)10-18-14(3,4)19-15/h8,12-13,16-17H,6-7,9-10H2,1-5H3/b11-8-/t12-,13-,15+/m1/s1
InChIKeyVIUTUFIMSXLCIF-FKQRDDPZSA-N
XLogP2.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol?
The IUPAC name of (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol (CID 132518843) is (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol.
What is the SMILES notation for (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol?
The canonical SMILES for (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol is C/C(=C/[C@@H](C)CO)CC[C@@H](O)[C@]1(C)COC(C)(C)O1.
What is the InChIKey of (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol?
The InChIKey is VIUTUFIMSXLCIF-FKQRDDPZSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(8-12(2)9-16)6-7-13(17)15(5)10-18-14(3,4)19-15/h8,12-13,16-17H,6-7,9-10H2,1-5H3/b11-8-/t12-,13-,15+/m1/s1.
What are the key properties of (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol?
(Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol has a molecular weight of 272.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,7R)-2,4-dimethyl-7-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hept-3-ene-1,7-diol is sourced from PubChem (CID 132518843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).