(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol

C16H32O3 — CID 42601253

IUPAC(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol
SMILESCCC(CCCO)CCC[C@H](C)CCC1OCCO1
InChIInChI=1S/C16H32O3/c1-3-15(8-5-11-17)7-4-6-14(2)9-10-16-18-12-13-19-16/h14-17H,3-13H2,1-2H3/t14-,15?/m0/s1
InChIKeyWHYYQRJLUGFIIL-MLCCFXAWSA-N
MW272.43 g/mol
LogP3.74
Rot. Bonds11

About (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol

(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol (PubChem CID 42601253) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol.

Molecular Properties

Compound Name(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol
PubChem CID42601253
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol
SMILESCCC(CCCO)CCC[C@H](C)CCC1OCCO1
InChIInChI=1S/C16H32O3/c1-3-15(8-5-11-17)7-4-6-14(2)9-10-16-18-12-13-19-16/h14-17H,3-13H2,1-2H3/t14-,15?/m0/s1
InChIKeyWHYYQRJLUGFIIL-MLCCFXAWSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol?
The IUPAC name of (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol (CID 42601253) is (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol.
What is the SMILES notation for (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol?
The canonical SMILES for (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol is CCC(CCCO)CCC[C@H](C)CCC1OCCO1.
What is the InChIKey of (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol?
The InChIKey is WHYYQRJLUGFIIL-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H32O3/c1-3-15(8-5-11-17)7-4-6-14(2)9-10-16-18-12-13-19-16/h14-17H,3-13H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol?
(8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-10-(1,3-dioxolan-2-yl)-4-ethyl-8-methyldecan-1-ol is sourced from PubChem (CID 42601253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).