ethane;3-methylspiro[4.4]nonane

C14H30 — CID 168995417

IUPACethane;3-methylspiro[4.4]nonane
SMILESCC.CC.CC1CCC2(CCCC2)C1
InChIInChI=1S/C10H18.2C2H6/c1-9-4-7-10(8-9)5-2-3-6-10;2*1-2/h9H,2-8H2,1H3;2*1-2H3
InChIKeyGNTHZMRAOXWLPN-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds

About ethane;3-methylspiro[4.4]nonane

ethane;3-methylspiro[4.4]nonane (PubChem CID 168995417) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is ethane;3-methylspiro[4.4]nonane.

Molecular Properties

Compound Nameethane;3-methylspiro[4.4]nonane
PubChem CID168995417
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Nameethane;3-methylspiro[4.4]nonane
SMILESCC.CC.CC1CCC2(CCCC2)C1
InChIInChI=1S/C10H18.2C2H6/c1-9-4-7-10(8-9)5-2-3-6-10;2*1-2/h9H,2-8H2,1H3;2*1-2H3
InChIKeyGNTHZMRAOXWLPN-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-methylspiro[4.5]decane
CID 140778087
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
2,7-dimethylspiro[3.4]octane
CID 142902956
ethane;3-methyl-8-thiaspiro[4.5]decane
CID 144515809
ethane;2-methylspiro[3.5]nonane
CID 164868147
3-methylspiro[5.6]dodecane
CID 143797283
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
ethane;6-methylspiro[2.5]octane
CID 142110397
11-methyldispiro[4.2.68.35]heptadecane-13,16-dithiol
CID 146581705
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
3,9-dimethylspiro[5.5]undecane
CID 20825106

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylspiro[4.4]nonane?
The IUPAC name of ethane;3-methylspiro[4.4]nonane (CID 168995417) is ethane;3-methylspiro[4.4]nonane.
What is the SMILES notation for ethane;3-methylspiro[4.4]nonane?
The canonical SMILES for ethane;3-methylspiro[4.4]nonane is CC.CC.CC1CCC2(CCCC2)C1.
What is the InChIKey of ethane;3-methylspiro[4.4]nonane?
The InChIKey is GNTHZMRAOXWLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2C2H6/c1-9-4-7-10(8-9)5-2-3-6-10;2*1-2/h9H,2-8H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methylspiro[4.4]nonane?
ethane;3-methylspiro[4.4]nonane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylspiro[4.4]nonane is sourced from PubChem (CID 168995417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).