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

C13H24O2 — CID 91748017

IUPAC(2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane
SMILESCC(C)C/C=C(/C(C)C)[C@@H]1OC[C@H](C)O1
InChIInChI=1S/C13H24O2/c1-9(2)6-7-12(10(3)4)13-14-8-11(5)15-13/h7,9-11,13H,6,8H2,1-5H3/b12-7-/t11-,13+/m0/s1
InChIKeyBVEUITQPSRGKBL-RACGTCIUSA-N
MW212.33 g/mol
LogP3.38
Rot. Bonds4

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

(2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane (PubChem CID 91748017) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane
PubChem CID91748017
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane
SMILESCC(C)C/C=C(/C(C)C)[C@@H]1OC[C@H](C)O1
InChIInChI=1S/C13H24O2/c1-9(2)6-7-12(10(3)4)13-14-8-11(5)15-13/h7,9-11,13H,6,8H2,1-5H3/b12-7-/t11-,13+/m0/s1
InChIKeyBVEUITQPSRGKBL-RACGTCIUSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.38
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 (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane?
The IUPAC name of (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane (CID 91748017) is (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane?
The canonical SMILES for (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane is CC(C)C/C=C(/C(C)C)[C@@H]1OC[C@H](C)O1.
What is the InChIKey of (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane?
The InChIKey is BVEUITQPSRGKBL-RACGTCIUSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)6-7-12(10(3)4)13-14-8-11(5)15-13/h7,9-11,13H,6,8H2,1-5H3/b12-7-/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane?
(2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[(Z)-2,6-dimethylhept-3-en-3-yl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 91748017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).