(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane

C18H28O3 — CID 25023055

IUPAC(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane
SMILESC=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C18H28O3/c1-6-7-15-8-13(2)9-16(20-15)10-14(3)11-17-12-19-18(4,5)21-17/h6,10,15-17H,1-2,7-9,11-12H2,3-5H3/b14-10+/t15-,16-,17-/m0/s1
InChIKeyJHJADNPKIDDTPK-PEYKTAIQSA-N
MW292.42 g/mol
LogP4.15
Rot. Bonds5

About (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane

(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane (PubChem CID 25023055) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane
PubChem CID25023055
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane
SMILESC=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C18H28O3/c1-6-7-15-8-13(2)9-16(20-15)10-14(3)11-17-12-19-18(4,5)21-17/h6,10,15-17H,1-2,7-9,11-12H2,3-5H3/b14-10+/t15-,16-,17-/m0/s1
InChIKeyJHJADNPKIDDTPK-PEYKTAIQSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane?
The IUPAC name of (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane (CID 25023055) is (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane.
What is the SMILES notation for (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane?
The canonical SMILES for (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane is C=CC[C@H]1CC(=C)C[C@@H](/C=C(\C)C[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane?
The InChIKey is JHJADNPKIDDTPK-PEYKTAIQSA-N. The full InChI is InChI=1S/C18H28O3/c1-6-7-15-8-13(2)9-16(20-15)10-14(3)11-17-12-19-18(4,5)21-17/h6,10,15-17H,1-2,7-9,11-12H2,3-5H3/b14-10+/t15-,16-,17-/m0/s1.
What are the key properties of (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane?
(2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane has a molecular weight of 292.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-1-enyl]-4-methylidene-6-prop-2-enyloxane is sourced from PubChem (CID 25023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).