4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol

C13H26O2 — CID 80684519

IUPAC4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)C1(C)CCCCO1
InChIInChI=1S/C13H26O2/c1-12(2,3)9-7-11(14)13(4)8-5-6-10-15-13/h11,14H,5-10H2,1-4H3
InChIKeyKWDSMDWIZVMKBI-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds3

About 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol

4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol (PubChem CID 80684519) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol
PubChem CID80684519
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)C1(C)CCCCO1
InChIInChI=1S/C13H26O2/c1-12(2,3)9-7-11(14)13(4)8-5-6-10-15-13/h11,14H,5-10H2,1-4H3
InChIKeyKWDSMDWIZVMKBI-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol (CID 80684519) is 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol is CC(C)(C)CCC(O)C1(C)CCCCO1.
What is the InChIKey of 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol?
The InChIKey is KWDSMDWIZVMKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,3)9-7-11(14)13(4)8-5-6-10-15-13/h11,14H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol?
4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol is sourced from PubChem (CID 80684519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).