3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol

C13H26O2 — CID 140735231

IUPAC3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol
SMILESCC1C(C)C(C)C(COCCCO)C1C
InChIInChI=1S/C13H26O2/c1-9-10(2)12(4)13(11(9)3)8-15-7-5-6-14/h9-14H,5-8H2,1-4H3
InChIKeyKAFMSYKRXNYNFY-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.56
Rot. Bonds5

About 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol

3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol (PubChem CID 140735231) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol
PubChem CID140735231
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol
SMILESCC1C(C)C(C)C(COCCCO)C1C
InChIInChI=1S/C13H26O2/c1-9-10(2)12(4)13(11(9)3)8-15-7-5-6-14/h9-14H,5-8H2,1-4H3
InChIKeyKAFMSYKRXNYNFY-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iridodiol
CID 101710
Cyclopentaneethanol, beta,2,3-trimethyl-
CID 549899
2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol
CID 15560395
3-[(2-Methylcyclopentyl)methoxy]propan-1-ol
CID 122496647
4-[3-(Ethoxymethyl)cyclopentyl]butan-1-ol
CID 156369284
3-(2-Cyclopentylethoxy)propan-1-ol
CID 174164261
(2S)-2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol
CID 11708140
2-[(1R, 2R, 3S)-2-(hydroxymethyl)-3-methylcyclopent-1-yl]ethan-1-ol
CID 11008194
2-(3-Methylcyclopentyl)propan-1-ol
CID 14039414
[2-(Propan-2-yloxymethyl)cyclopentyl]methanol
CID 18710478
[2-(Methoxymethyl)cyclopentyl]methanol
CID 18710479
3-[2-(3-Hydroxypropyl)cyclopentyl]propan-1-ol
CID 20207746

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol?
The IUPAC name of 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol (CID 140735231) is 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol is CC1C(C)C(C)C(COCCCO)C1C.
What is the InChIKey of 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol?
The InChIKey is KAFMSYKRXNYNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-9-10(2)12(4)13(11(9)3)8-15-7-5-6-14/h9-14H,5-8H2,1-4H3.
What are the key properties of 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol?
3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4,5-tetramethylcyclopentyl)methoxy]propan-1-ol is sourced from PubChem (CID 140735231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).