(4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane

C17H32O2 — CID 58304413

IUPAC(4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(C)/C=C\[C@@H](C)C(C)C
InChIInChI=1S/C17H32O2/c1-8-9-15-16(19-17(6,7)18-15)14(5)11-10-13(4)12(2)3/h10-16H,8-9H2,1-7H3/b11-10-/t13-,14?,15+,16-/m1/s1
InChIKeyQCHSURQMAAFEQV-LBXBBDGZSA-N
MW268.44 g/mol
LogP4.79
Rot. Bonds6

About (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane

(4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane (PubChem CID 58304413) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane
PubChem CID58304413
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane
SMILESCCC[C@@H]1OC(C)(C)O[C@@H]1C(C)/C=C\[C@@H](C)C(C)C
InChIInChI=1S/C17H32O2/c1-8-9-15-16(19-17(6,7)18-15)14(5)11-10-13(4)12(2)3/h10-16H,8-9H2,1-7H3/b11-10-/t13-,14?,15+,16-/m1/s1
InChIKeyQCHSURQMAAFEQV-LBXBBDGZSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane (CID 58304413) is (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane is CCC[C@@H]1OC(C)(C)O[C@@H]1C(C)/C=C\[C@@H](C)C(C)C.
What is the InChIKey of (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane?
The InChIKey is QCHSURQMAAFEQV-LBXBBDGZSA-N. The full InChI is InChI=1S/C17H32O2/c1-8-9-15-16(19-17(6,7)18-15)14(5)11-10-13(4)12(2)3/h10-16H,8-9H2,1-7H3/b11-10-/t13-,14?,15+,16-/m1/s1.
What are the key properties of (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane?
(4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane has a molecular weight of 268.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-propyl-1,3-dioxolane is sourced from PubChem (CID 58304413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).