(3R)-7-ethyl-3-methylspiro[3.5]nonane

C12H22 — CID 163822270

IUPAC(3R)-7-ethyl-3-methylspiro[3.5]nonane
SMILESCCC1CCC2(CC1)CC[C@H]2C
InChIInChI=1S/C12H22/c1-3-11-5-8-12(9-6-11)7-4-10(12)2/h10-11H,3-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyNWKOGZPLOJBHKC-VOMCLLRMSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About (3R)-7-ethyl-3-methylspiro[3.5]nonane

(3R)-7-ethyl-3-methylspiro[3.5]nonane (PubChem CID 163822270) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3R)-7-ethyl-3-methylspiro[3.5]nonane.

Molecular Properties

Compound Name(3R)-7-ethyl-3-methylspiro[3.5]nonane
PubChem CID163822270
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3R)-7-ethyl-3-methylspiro[3.5]nonane
SMILESCCC1CCC2(CC1)CC[C@H]2C
InChIInChI=1S/C12H22/c1-3-11-5-8-12(9-6-11)7-4-10(12)2/h10-11H,3-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyNWKOGZPLOJBHKC-VOMCLLRMSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
2-(bromomethyl)-6-ethylspiro[2.5]octane
CID 81351534
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680
4-ethyl-1,1,2-trimethylcyclohexane
CID 91194488
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
4-ethyl-1,1,8-trimethylcycloundecane
CID 123611598
1,3-diethylcyclopentane
CID 530396
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822

Frequently Asked Questions

What is the IUPAC name of (3R)-7-ethyl-3-methylspiro[3.5]nonane?
The IUPAC name of (3R)-7-ethyl-3-methylspiro[3.5]nonane (CID 163822270) is (3R)-7-ethyl-3-methylspiro[3.5]nonane.
What is the SMILES notation for (3R)-7-ethyl-3-methylspiro[3.5]nonane?
The canonical SMILES for (3R)-7-ethyl-3-methylspiro[3.5]nonane is CCC1CCC2(CC1)CC[C@H]2C.
What is the InChIKey of (3R)-7-ethyl-3-methylspiro[3.5]nonane?
The InChIKey is NWKOGZPLOJBHKC-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H22/c1-3-11-5-8-12(9-6-11)7-4-10(12)2/h10-11H,3-9H2,1-2H3/t10-,11?,12?/m1/s1.
What are the key properties of (3R)-7-ethyl-3-methylspiro[3.5]nonane?
(3R)-7-ethyl-3-methylspiro[3.5]nonane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-ethyl-3-methylspiro[3.5]nonane is sourced from PubChem (CID 163822270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).