(4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane

C10H18O2 — CID 12027935

IUPAC(4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane
SMILESC=C1COC(C)(C)O[C@H]1C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9-8(3)6-11-10(4,5)12-9/h7,9H,3,6H2,1-2,4-5H3/t9-/m0/s1
InChIKeyQRNJOGNHFVJGMF-VIFPVBQESA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds1

About (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane

(4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane (PubChem CID 12027935) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane
PubChem CID12027935
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane
SMILESC=C1COC(C)(C)O[C@H]1C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9-8(3)6-11-10(4,5)12-9/h7,9H,3,6H2,1-2,4-5H3/t9-/m0/s1
InChIKeyQRNJOGNHFVJGMF-VIFPVBQESA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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 (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane?
The IUPAC name of (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane (CID 12027935) is (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane.
What is the SMILES notation for (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane?
The canonical SMILES for (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane is C=C1COC(C)(C)O[C@H]1C(C)C.
What is the InChIKey of (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane?
The InChIKey is QRNJOGNHFVJGMF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9-8(3)6-11-10(4,5)12-9/h7,9H,3,6H2,1-2,4-5H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane?
(4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-5-methylidene-4-propan-2-yl-1,3-dioxane is sourced from PubChem (CID 12027935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).