ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane

C19H34 — CID 91597819

IUPACethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
SMILESC1CC2C(C1)C1CC2C2C3CCC(C3)C12.CC.CC
InChIInChI=1S/C15H22.2C2H6/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;2*1-2/h8-15H,1-7H2;2*1-2H3
InChIKeyOHIMGGBNDZKHEF-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.77
Rot. Bonds

About ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane

ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane (PubChem CID 91597819) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane.

Molecular Properties

Compound Nameethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
PubChem CID91597819
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nameethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
SMILESC1CC2C(C1)C1CC2C2C3CCC(C3)C12.CC.CC
InChIInChI=1S/C15H22.2C2H6/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;2*1-2/h8-15H,1-7H2;2*1-2H3
InChIKeyOHIMGGBNDZKHEF-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
CID 90872999
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325

Frequently Asked Questions

What is the IUPAC name of ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
The IUPAC name of ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane (CID 91597819) is ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane.
What is the SMILES notation for ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
The canonical SMILES for ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane is C1CC2C(C1)C1CC2C2C3CCC(C3)C12.CC.CC.
What is the InChIKey of ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
The InChIKey is OHIMGGBNDZKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.2C2H6/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14;2*1-2/h8-15H,1-7H2;2*1-2H3.
What are the key properties of ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane has a molecular weight of 262.48 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane is sourced from PubChem (CID 91597819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).