(Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol

C10H18O3 — CID 22902804

IUPAC(Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol
SMILESC/C(=C/O)CC1OCC(C)(C)CO1
InChIInChI=1S/C10H18O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-
InChIKeyHCTPLIYYPBUXLY-YVMONPNESA-N
MW186.25 g/mol
LogP2.24
Rot. Bonds2

About (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol

(Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol (PubChem CID 22902804) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol
PubChem CID22902804
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol
SMILESC/C(=C/O)CC1OCC(C)(C)CO1
InChIInChI=1S/C10H18O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-
InChIKeyHCTPLIYYPBUXLY-YVMONPNESA-N
XLogP2.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol?
The IUPAC name of (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol (CID 22902804) is (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol.
What is the SMILES notation for (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol?
The canonical SMILES for (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol is C/C(=C/O)CC1OCC(C)(C)CO1.
What is the InChIKey of (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol?
The InChIKey is HCTPLIYYPBUXLY-YVMONPNESA-N. The full InChI is InChI=1S/C10H18O3/c1-8(5-11)4-9-12-6-10(2,3)7-13-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol?
(Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylprop-1-en-1-ol is sourced from PubChem (CID 22902804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).