trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol

C16H30O3 — CID 68746614

IUPACtrans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
SMILESCCCCCC1(CC[C@@H]2C(C)CC[C@H]2O)OCCO1
InChIInChI=1S/C16H30O3/c1-3-4-5-9-16(18-11-12-19-16)10-8-14-13(2)6-7-15(14)17/h13-15,17H,3-12H2,1-2H3/t13?,14-,15-/m1/s1
InChIKeyQMOFWWCWXUQIDW-JVIGXAJISA-N
MW270.41 g/mol
LogP3.50
Rot. Bonds7

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

trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol (PubChem CID 68746614) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
PubChem CID68746614
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nametrans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol
SMILESCCCCCC1(CC[C@@H]2C(C)CC[C@H]2O)OCCO1
InChIInChI=1S/C16H30O3/c1-3-4-5-9-16(18-11-12-19-16)10-8-14-13(2)6-7-15(14)17/h13-15,17H,3-12H2,1-2H3/t13?,14-,15-/m1/s1
InChIKeyQMOFWWCWXUQIDW-JVIGXAJISA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.50
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 trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol (CID 68746614) is trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol is CCCCCC1(CC[C@@H]2C(C)CC[C@H]2O)OCCO1.
What is the InChIKey of trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
The InChIKey is QMOFWWCWXUQIDW-JVIGXAJISA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-9-16(18-11-12-19-16)10-8-14-13(2)6-7-15(14)17/h13-15,17H,3-12H2,1-2H3/t13?,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol?
trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol has a molecular weight of 270.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-3-methyl-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 68746614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).