7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol

C20H40O3 — CID 10359175

IUPAC7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
SMILESCCCCCCCCCCC1(CCCCCCCO)OCCO1
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-9-12-15-20(22-18-19-23-20)16-13-10-8-11-14-17-21/h21H,2-19H2,1H3
InChIKeyXOJJMSJDDRTGIM-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.59
Rot. Bonds16

About 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol

7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol (PubChem CID 10359175) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
PubChem CID10359175
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
SMILESCCCCCCCCCCC1(CCCCCCCO)OCCO1
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-9-12-15-20(22-18-19-23-20)16-13-10-8-11-14-17-21/h21H,2-19H2,1H3
InChIKeyXOJJMSJDDRTGIM-UHFFFAOYSA-N
XLogP5.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
9-(2-hexyl-1,3-dioxolan-2-yl)non-4-yn-1-ol
CID 134971552
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
1-(2-nonyl-1,3-dioxolan-2-yl)propan-2-one
CID 21301805
5-(2-butyloxetan-2-yl)pentan-1-ol
CID 68634835
2-hexyl-2-oct-7-ynyl-1,3-dioxolane
CID 71517735

Frequently Asked Questions

What is the IUPAC name of 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol?
The IUPAC name of 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol (CID 10359175) is 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol.
What is the SMILES notation for 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol?
The canonical SMILES for 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol is CCCCCCCCCCC1(CCCCCCCO)OCCO1.
What is the InChIKey of 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol?
The InChIKey is XOJJMSJDDRTGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-4-5-6-7-9-12-15-20(22-18-19-23-20)16-13-10-8-11-14-17-21/h21H,2-19H2,1H3.
What are the key properties of 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol?
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol has a molecular weight of 328.54 g/mol, XLogP of 5.59, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol is sourced from PubChem (CID 10359175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).