pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane

C14H20 — CID 90749400

IUPACpentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
SMILESC1CC2C1CC1C3CC(C4CCC34)C21
InChIInChI=1S/C14H20/c1-2-8-7(1)5-12-11-6-13(14(8)12)10-4-3-9(10)11/h7-14H,1-6H2
InChIKeyHZYIATTXZXHPBP-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.32
Rot. Bonds

About pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane

pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane (PubChem CID 90749400) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane.

Molecular Properties

Compound Namepentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
PubChem CID90749400
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Namepentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
SMILESC1CC2C1CC1C3CC(C4CCC34)C21
InChIInChI=1S/C14H20/c1-2-8-7(1)5-12-11-6-13(14(8)12)10-4-3-9(10)11/h7-14H,1-6H2
InChIKeyHZYIATTXZXHPBP-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113
heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
CID 59938675
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
CID 54326568
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
CID 163955240
pentacyclo[8.4.0.03,7.04,13.06,11]tetradecane
CID 604684
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
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
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
CID 59892974
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737

Frequently Asked Questions

What is the IUPAC name of pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane?
The IUPAC name of pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane (CID 90749400) is pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane.
What is the SMILES notation for pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane?
The canonical SMILES for pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane is C1CC2C1CC1C3CC(C4CCC34)C21.
What is the InChIKey of pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane?
The InChIKey is HZYIATTXZXHPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-8-7(1)5-12-11-6-13(14(8)12)10-4-3-9(10)11/h7-14H,1-6H2.
What are the key properties of pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane?
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane has a molecular weight of 188.31 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane is sourced from PubChem (CID 90749400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).