ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C20H38 — CID 91434011

IUPACethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.CC.CC.CC
InChIInChI=1S/C14H20.3C2H6/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;3*1-2/h7-14H,1-6H2;3*1-2H3
InChIKeyYKIGJNNZMRDFQW-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.40
Rot. Bonds

About ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 91434011) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Nameethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID91434011
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Nameethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESC1C2CC3C4CC5CC(C14)C(C2)C3C5.CC.CC.CC
InChIInChI=1S/C14H20.3C2H6/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;3*1-2/h7-14H,1-6H2;3*1-2H3
InChIKeyYKIGJNNZMRDFQW-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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adamantane;bis(bicyclo[2.2.1]heptane);ethane;propane
CID 160698530
CID 100992015
CID 100992015
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58143174
4-ethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 59157224
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
adamantane;but-2-ene;ethane
CID 90963608
adamantane;ethane;methane;2-methylpropane
CID 158164566
1-fluoropentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 13046553

Frequently Asked Questions

What is the IUPAC name of ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 91434011) is ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is C1C2CC3C4CC5CC(C14)C(C2)C3C5.CC.CC.CC.
What is the InChIKey of ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is YKIGJNNZMRDFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.3C2H6/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8;3*1-2/h7-14H,1-6H2;3*1-2H3.
What are the key properties of ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 278.52 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 91434011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).