2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol

C15H30O5 — CID 144511692

IUPAC2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC1(C=O)OCCO1.CC1CCCC1O
InChIInChI=1S/C6H12O.C5H8O3.C4H10O/c1-5-3-2-4-6(5)7;1-5(4-6)7-2-3-8-5;1-4(2,3)5/h5-7H,2-4H2,1H3;4H,2-3H2,1H3;5H,1-3H3
InChIKeyHDRULXYOLLRSFY-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.89
Rot. Bonds1

About 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol

2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol (PubChem CID 144511692) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol.

Molecular Properties

Compound Name2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol
PubChem CID144511692
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol
SMILESCC(C)(C)O.CC1(C=O)OCCO1.CC1CCCC1O
InChIInChI=1S/C6H12O.C5H8O3.C4H10O/c1-5-3-2-4-6(5)7;1-5(4-6)7-2-3-8-5;1-4(2,3)5/h5-7H,2-4H2,1H3;4H,2-3H2,1H3;5H,1-3H3
InChIKeyHDRULXYOLLRSFY-UHFFFAOYSA-N
XLogP1.89
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol?
The IUPAC name of 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol (CID 144511692) is 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol.
What is the SMILES notation for 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol?
The canonical SMILES for 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol is CC(C)(C)O.CC1(C=O)OCCO1.CC1CCCC1O.
What is the InChIKey of 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol?
The InChIKey is HDRULXYOLLRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H8O3.C4H10O/c1-5-3-2-4-6(5)7;1-5(4-6)7-2-3-8-5;1-4(2,3)5/h5-7H,2-4H2,1H3;4H,2-3H2,1H3;5H,1-3H3.
What are the key properties of 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol?
2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol has a molecular weight of 290.40 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopentan-1-ol;2-methyl-1,3-dioxolane-2-carbaldehyde;2-methylpropan-2-ol is sourced from PubChem (CID 144511692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).