(3,3,4,4,5-pentamethyloxolan-2-yl)methanol

C10H20O2 — CID 20584500

IUPAC(3,3,4,4,5-pentamethyloxolan-2-yl)methanol
SMILESCC1OC(CO)C(C)(C)C1(C)C
InChIInChI=1S/C10H20O2/c1-7-9(2,3)10(4,5)8(6-11)12-7/h7-8,11H,6H2,1-5H3
InChIKeyQSMSBPHHSDRPOK-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds1

About (3,3,4,4,5-pentamethyloxolan-2-yl)methanol

(3,3,4,4,5-pentamethyloxolan-2-yl)methanol (PubChem CID 20584500) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3,3,4,4,5-pentamethyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(3,3,4,4,5-pentamethyloxolan-2-yl)methanol
PubChem CID20584500
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3,3,4,4,5-pentamethyloxolan-2-yl)methanol
SMILESCC1OC(CO)C(C)(C)C1(C)C
InChIInChI=1S/C10H20O2/c1-7-9(2,3)10(4,5)8(6-11)12-7/h7-8,11H,6H2,1-5H3
InChIKeyQSMSBPHHSDRPOK-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3,4,4,5-pentamethyloxolan-2-yl)methanol?
The IUPAC name of (3,3,4,4,5-pentamethyloxolan-2-yl)methanol (CID 20584500) is (3,3,4,4,5-pentamethyloxolan-2-yl)methanol.
What is the SMILES notation for (3,3,4,4,5-pentamethyloxolan-2-yl)methanol?
The canonical SMILES for (3,3,4,4,5-pentamethyloxolan-2-yl)methanol is CC1OC(CO)C(C)(C)C1(C)C.
What is the InChIKey of (3,3,4,4,5-pentamethyloxolan-2-yl)methanol?
The InChIKey is QSMSBPHHSDRPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-9(2,3)10(4,5)8(6-11)12-7/h7-8,11H,6H2,1-5H3.
What are the key properties of (3,3,4,4,5-pentamethyloxolan-2-yl)methanol?
(3,3,4,4,5-pentamethyloxolan-2-yl)methanol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5-pentamethyloxolan-2-yl)methanol is sourced from PubChem (CID 20584500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).