4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H24 — CID 59157224

IUPAC4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCCC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C16H24/c1-2-16-6-13-10-3-9-4-11(13)15(8-16)12(5-9)14(10)7-16/h9-15H,2-8H2,1H3
InChIKeyLYXWUOWAPQYCAD-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.10
Rot. Bonds1

About 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 59157224) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID59157224
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCCC12CC3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C16H24/c1-2-16-6-13-10-3-9-4-11(13)15(8-16)12(5-9)14(10)7-16/h9-15H,2-8H2,1H3
InChIKeyLYXWUOWAPQYCAD-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 91434011
4-(azidomethyl)pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 59860945
1,3,5-triethyladamantane
CID 21415733
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
1,3-bis(3-ethyl-1-adamantyl)adamantane
CID 58695293
4-ethenylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 59018503
ethane;1-ethylbicyclo[2.2.1]heptane
CID 168937878
(4-ethyl-4-tricyclo[3.2.1.03,6]octanyl)methanamine
CID 157232882
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
6-ethyltricyclo[4.3.1.03,8]decane
CID 173088739
adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
CID 160698530
1-ethyl-3,5-dipropyladamantane
CID 609649

Frequently Asked Questions

What is the IUPAC name of 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 59157224) is 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CCC12CC3C4CC5CC3C(C1)C(C5)C4C2.
What is the InChIKey of 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is LYXWUOWAPQYCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-16-6-13-10-3-9-4-11(13)15(8-16)12(5-9)14(10)7-16/h9-15H,2-8H2,1H3.
What are the key properties of 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 216.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 59157224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).