11-deuterio-11-methyldispiro[4.2.58.25]pentadecane

C16H28 — CID 157178065

IUPAC11-deuterio-11-methyldispiro[4.2.58.25]pentadecane
SMILES[2H]C1(C)CCC2(CC1)CCC1(CCCC1)CC2
InChIInChI=1S/C16H28/c1-14-4-8-16(9-5-14)12-10-15(11-13-16)6-2-3-7-15/h14H,2-13H2,1H3/i14D
InChIKeyPJJDTYAIWHVSBB-FCFVPJCTSA-N
MW221.41 g/mol
LogP5.32
Rot. Bonds

About 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane

11-deuterio-11-methyldispiro[4.2.58.25]pentadecane (PubChem CID 157178065) has the molecular formula C16H28 and a molecular weight of 221.41 g/mol. Its IUPAC name is 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane.

Molecular Properties

Compound Name11-deuterio-11-methyldispiro[4.2.58.25]pentadecane
PubChem CID157178065
Molecular FormulaC16H28
Molecular Weight221.41 g/mol
Exact Mass221.23
IUPAC Name11-deuterio-11-methyldispiro[4.2.58.25]pentadecane
SMILES[2H]C1(C)CCC2(CC1)CCC1(CCCC1)CC2
InChIInChI=1S/C16H28/c1-14-4-8-16(9-5-14)12-10-15(11-13-16)6-2-3-7-15/h14H,2-13H2,1H3/i14D
InChIKeyPJJDTYAIWHVSBB-FCFVPJCTSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylspiro[5.6]dodecane
CID 143797283
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
spiro[2.7]decane
CID 12657449
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
ethane;6-methylspiro[2.5]octane
CID 142110397
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
spiro[4.4]nonane
CID 90780660
3,9-dimethylspiro[5.5]undecane
CID 20825106
3-propylspiro[5.6]dodecane
CID 163613469
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087

Frequently Asked Questions

What is the IUPAC name of 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane?
The IUPAC name of 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane (CID 157178065) is 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane.
What is the SMILES notation for 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane?
The canonical SMILES for 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane is [2H]C1(C)CCC2(CC1)CCC1(CCCC1)CC2.
What is the InChIKey of 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane?
The InChIKey is PJJDTYAIWHVSBB-FCFVPJCTSA-N. The full InChI is InChI=1S/C16H28/c1-14-4-8-16(9-5-14)12-10-15(11-13-16)6-2-3-7-15/h14H,2-13H2,1H3/i14D.
What are the key properties of 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane?
11-deuterio-11-methyldispiro[4.2.58.25]pentadecane has a molecular weight of 221.41 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-deuterio-11-methyldispiro[4.2.58.25]pentadecane is sourced from PubChem (CID 157178065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).