1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol

C19H34O3 — CID 90777022

IUPAC1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
SMILESCCC1CC(CC(C)O)OC(C2CCC3CCCCC3C2)O1
InChIInChI=1S/C19H34O3/c1-3-17-12-18(10-13(2)20)22-19(21-17)16-9-8-14-6-4-5-7-15(14)11-16/h13-20H,3-12H2,1-2H3
InChIKeyOZTCOCNYNQDKFY-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol

1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol (PubChem CID 90777022) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
PubChem CID90777022
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
SMILESCCC1CC(CC(C)O)OC(C2CCC3CCCCC3C2)O1
InChIInChI=1S/C19H34O3/c1-3-17-12-18(10-13(2)20)22-19(21-17)16-9-8-14-6-4-5-7-15(14)11-16/h13-20H,3-12H2,1-2H3
InChIKeyOZTCOCNYNQDKFY-UHFFFAOYSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol?
The IUPAC name of 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol (CID 90777022) is 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol is CCC1CC(CC(C)O)OC(C2CCC3CCCCC3C2)O1.
What is the InChIKey of 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol?
The InChIKey is OZTCOCNYNQDKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-3-17-12-18(10-13(2)20)22-19(21-17)16-9-8-14-6-4-5-7-15(14)11-16/h13-20H,3-12H2,1-2H3.
What are the key properties of 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol?
1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol has a molecular weight of 310.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol is sourced from PubChem (CID 90777022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).