2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane

C18H34 — CID 140885775

IUPAC2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane
SMILESCC1C(C)(C)CC2(CCC(C)(C)CC2)CC1(C)C
InChIInChI=1S/C18H34/c1-14-16(4,5)12-18(13-17(14,6)7)10-8-15(2,3)9-11-18/h14H,8-13H2,1-7H3
InChIKeyOBLFUENOFXKMLY-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds

About 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane

2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane (PubChem CID 140885775) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane.

Molecular Properties

Compound Name2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane
PubChem CID140885775
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane
SMILESCC1C(C)(C)CC2(CCC(C)(C)CC2)CC1(C)C
InChIInChI=1S/C18H34/c1-14-16(4,5)12-18(13-17(14,6)7)10-8-15(2,3)9-11-18/h14H,8-13H2,1-7H3
InChIKeyOBLFUENOFXKMLY-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 177318359
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1,2,2,4,4,5,6,6,8,8-decamethylazocane
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3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane
CID 140892136
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1,2,2,3,4,4,6,6-octamethylpiperidine
CID 22969579
1,1,2,4,4-pentamethylcyclohexane
CID 18728443
1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
CID 140583880
1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane;1,1,2-trimethylcyclopropane
CID 158329208
(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol
CID 138516988
ethane;6-methylspiro[2.5]octane
CID 142110397

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane?
The IUPAC name of 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane (CID 140885775) is 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane.
What is the SMILES notation for 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane?
The canonical SMILES for 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane is CC1C(C)(C)CC2(CCC(C)(C)CC2)CC1(C)C.
What is the InChIKey of 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane?
The InChIKey is OBLFUENOFXKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-14-16(4,5)12-18(13-17(14,6)7)10-8-15(2,3)9-11-18/h14H,8-13H2,1-7H3.
What are the key properties of 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane?
2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane has a molecular weight of 250.47 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,9,9-heptamethylspiro[5.5]undecane is sourced from PubChem (CID 140885775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).