ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane

C21H40 — CID 91554389

IUPACethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
SMILESC1CC2CC1C1CC3C4CCC(C4)C3C21.CC.CC.CC
InChIInChI=1S/C15H22.3C2H6/c1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;3*1-2/h8-15H,1-7H2;3*1-2H3
InChIKeyLNAJVFDMZNQZNQ-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.79
Rot. Bonds

About ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane

ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane (PubChem CID 91554389) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane.

Molecular Properties

Compound Nameethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
PubChem CID91554389
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Nameethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
SMILESC1CC2CC1C1CC3C4CCC(C4)C3C21.CC.CC.CC
InChIInChI=1S/C15H22.3C2H6/c1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;3*1-2/h8-15H,1-7H2;3*1-2H3
InChIKeyLNAJVFDMZNQZNQ-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
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
3,4-dimethyltricyclo[5.2.1.02,6]decane;ethane
CID 90804834
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
(4S,6R)-5-oxaheptacyclo[7.6.1.13,7.111,14.02,8.04,6.010,15]octadecane
CID 59904064

Frequently Asked Questions

What is the IUPAC name of ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane?
The IUPAC name of ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane (CID 91554389) is ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane.
What is the SMILES notation for ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane?
The canonical SMILES for ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane is C1CC2CC1C1CC3C4CCC(C4)C3C21.CC.CC.CC.
What is the InChIKey of ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane?
The InChIKey is LNAJVFDMZNQZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.3C2H6/c1-3-10-5-8(1)12-7-13-9-2-4-11(6-9)15(13)14(10)12;3*1-2/h8-15H,1-7H2;3*1-2H3.
What are the key properties of ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane?
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane has a molecular weight of 292.55 g/mol, XLogP of 6.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane is sourced from PubChem (CID 91554389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).