pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane

C16H24 — CID 163955240

IUPACpentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
SMILESC1CC2CC1CC1C3CCC4C(C3)C4C1C2
InChIInChI=1S/C16H24/c1-2-10-5-9(1)6-13-11-3-4-12-15(8-11)16(12)14(13)7-10/h9-16H,1-8H2
InChIKeySCTXBCCODMTDKF-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.10
Rot. Bonds

About pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane

pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane (PubChem CID 163955240) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane.

Molecular Properties

Compound Namepentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
PubChem CID163955240
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Namepentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
SMILESC1CC2CC1CC1C3CCC4C(C3)C4C1C2
InChIInChI=1S/C16H24/c1-2-10-5-9(1)6-13-11-3-4-12-15(8-11)16(12)14(13)7-10/h9-16H,1-8H2
InChIKeySCTXBCCODMTDKF-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane
CID 132990526
tricyclo[3.3.0.02,7]octane
CID 13112141
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
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
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113
2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane
CID 123646465
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
CID 59892974
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048

Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane?
The IUPAC name of pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane (CID 163955240) is pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane.
What is the SMILES notation for pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane?
The canonical SMILES for pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane is C1CC2CC1CC1C3CCC4C(C3)C4C1C2.
What is the InChIKey of pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane?
The InChIKey is SCTXBCCODMTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-10-5-9(1)6-13-11-3-4-12-15(8-11)16(12)14(13)7-10/h9-16H,1-8H2.
What are the key properties of pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane?
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane has a molecular weight of 216.37 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane is sourced from PubChem (CID 163955240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).