4-heptan-3-yl-4-methyloxolan-2-ol

C12H24O2 — CID 70950655

IUPAC4-heptan-3-yl-4-methyloxolan-2-ol
SMILESCCCCC(CC)C1(C)COC(O)C1
InChIInChI=1S/C12H24O2/c1-4-6-7-10(5-2)12(3)8-11(13)14-9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyCDTLDDVKZRKEEO-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.95
Rot. Bonds5

About 4-heptan-3-yl-4-methyloxolan-2-ol

4-heptan-3-yl-4-methyloxolan-2-ol (PubChem CID 70950655) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-heptan-3-yl-4-methyloxolan-2-ol.

Molecular Properties

Compound Name4-heptan-3-yl-4-methyloxolan-2-ol
PubChem CID70950655
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-heptan-3-yl-4-methyloxolan-2-ol
SMILESCCCCC(CC)C1(C)COC(O)C1
InChIInChI=1S/C12H24O2/c1-4-6-7-10(5-2)12(3)8-11(13)14-9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyCDTLDDVKZRKEEO-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-4-methyloxolan-2-ol?
The IUPAC name of 4-heptan-3-yl-4-methyloxolan-2-ol (CID 70950655) is 4-heptan-3-yl-4-methyloxolan-2-ol.
What is the SMILES notation for 4-heptan-3-yl-4-methyloxolan-2-ol?
The canonical SMILES for 4-heptan-3-yl-4-methyloxolan-2-ol is CCCCC(CC)C1(C)COC(O)C1.
What is the InChIKey of 4-heptan-3-yl-4-methyloxolan-2-ol?
The InChIKey is CDTLDDVKZRKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-6-7-10(5-2)12(3)8-11(13)14-9-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-heptan-3-yl-4-methyloxolan-2-ol?
4-heptan-3-yl-4-methyloxolan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-4-methyloxolan-2-ol is sourced from PubChem (CID 70950655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).