[2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol

C15H28O3 — CID 141447034

IUPAC[2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol
SMILESCCCC(CC(C)CC(C)C)C1OC=C(CO)O1
InChIInChI=1S/C15H28O3/c1-5-6-13(8-12(4)7-11(2)3)15-17-10-14(9-16)18-15/h10-13,15-16H,5-9H2,1-4H3
InChIKeyBKCBVVJRUYBELH-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.68
Rot. Bonds8

About [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol

[2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol (PubChem CID 141447034) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol.

Molecular Properties

Compound Name[2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol
PubChem CID141447034
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol
SMILESCCCC(CC(C)CC(C)C)C1OC=C(CO)O1
InChIInChI=1S/C15H28O3/c1-5-6-13(8-12(4)7-11(2)3)15-17-10-14(9-16)18-15/h10-13,15-16H,5-9H2,1-4H3
InChIKeyBKCBVVJRUYBELH-UHFFFAOYSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol?
The IUPAC name of [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol (CID 141447034) is [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol.
What is the SMILES notation for [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol?
The canonical SMILES for [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol is CCCC(CC(C)CC(C)C)C1OC=C(CO)O1.
What is the InChIKey of [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol?
The InChIKey is BKCBVVJRUYBELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-6-13(8-12(4)7-11(2)3)15-17-10-14(9-16)18-15/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol?
[2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,8-dimethylnonan-4-yl)-1,3-dioxol-4-yl]methanol is sourced from PubChem (CID 141447034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).