(3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol

C17H32O3 — CID 70841368

IUPAC(3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
SMILESCCCCCCCC1(CC[C@H]2CCC(O)C2)OCCO1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-10-17(19-12-13-20-17)11-9-15-7-8-16(18)14-15/h15-16,18H,2-14H2,1H3/t15-,16?/m1/s1
InChIKeyILFCSUKOCLOCNS-AAFJCEBUSA-N
MW284.44 g/mol
LogP4.03
Rot. Bonds9

About (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol

(3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol (PubChem CID 70841368) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
PubChem CID70841368
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
SMILESCCCCCCCC1(CC[C@H]2CCC(O)C2)OCCO1
InChIInChI=1S/C17H32O3/c1-2-3-4-5-6-10-17(19-12-13-20-17)11-9-15-7-8-16(18)14-15/h15-16,18H,2-14H2,1H3/t15-,16?/m1/s1
InChIKeyILFCSUKOCLOCNS-AAFJCEBUSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol (CID 70841368) is (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol is CCCCCCCC1(CC[C@H]2CCC(O)C2)OCCO1.
What is the InChIKey of (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
The InChIKey is ILFCSUKOCLOCNS-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-5-6-10-17(19-12-13-20-17)11-9-15-7-8-16(18)14-15/h15-16,18H,2-14H2,1H3/t15-,16?/m1/s1.
What are the key properties of (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
(3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 70841368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).