adamantan-2-one;ethane

C14H26O — CID 90847948

IUPACadamantan-2-one;ethane
SMILESCC.CC.O=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H14O.2C2H6/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;2*1-2/h6-9H,1-5H2;2*1-2H3
InChIKeyBVQMHFAMIFNPHB-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds

About adamantan-2-one;ethane

adamantan-2-one;ethane (PubChem CID 90847948) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is adamantan-2-one;ethane.

Molecular Properties

Compound Nameadamantan-2-one;ethane
PubChem CID90847948
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nameadamantan-2-one;ethane
SMILESCC.CC.O=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H14O.2C2H6/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;2*1-2/h6-9H,1-5H2;2*1-2H3
InChIKeyBVQMHFAMIFNPHB-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of adamantan-2-one;ethane?
The IUPAC name of adamantan-2-one;ethane (CID 90847948) is adamantan-2-one;ethane.
What is the SMILES notation for adamantan-2-one;ethane?
The canonical SMILES for adamantan-2-one;ethane is CC.CC.O=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of adamantan-2-one;ethane?
The InChIKey is BVQMHFAMIFNPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.2C2H6/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;2*1-2/h6-9H,1-5H2;2*1-2H3.
What are the key properties of adamantan-2-one;ethane?
adamantan-2-one;ethane has a molecular weight of 210.36 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-2-one;ethane is sourced from PubChem (CID 90847948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).