2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane

C19H28 — CID 123583493

IUPAC2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane
SMILESCC1C2CC3CC4C2CC2CCC5CC2C4C1(C5)C3
InChIInChI=1S/C19H28/c1-10-14-5-12-6-17-16(14)7-13-3-2-11-4-15(13)18(17)19(10,8-11)9-12/h10-18H,2-9H2,1H3
InChIKeyKYYMONSSABWMBI-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.74
Rot. Bonds

About 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane

2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane (PubChem CID 123583493) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane.

Molecular Properties

Compound Name2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane
PubChem CID123583493
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane
SMILESCC1C2CC3CC4C2CC2CCC5CC2C4C1(C5)C3
InChIInChI=1S/C19H28/c1-10-14-5-12-6-17-16(14)7-13-3-2-11-4-15(13)18(17)19(10,8-11)9-12/h10-18H,2-9H2,1H3
InChIKeyKYYMONSSABWMBI-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
CID 178199728
(2S,3R,7R,11R,12R,13S)-9-bromoheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane
CID 18293472
(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane
CID 146416671
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
CID 123849579
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
1-ethynyl-3-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58838695
2-methyladamantane-1,4-diol
CID 150043877
CID 174109256
CID 174109256
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
CID 163955240
2-methylbicyclo[1.1.1]pentan-1-amine
CID 123370149

Frequently Asked Questions

What is the IUPAC name of 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane?
The IUPAC name of 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane (CID 123583493) is 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane.
What is the SMILES notation for 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane?
The canonical SMILES for 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane is CC1C2CC3CC4C2CC2CCC5CC2C4C1(C5)C3.
What is the InChIKey of 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane?
The InChIKey is KYYMONSSABWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-10-14-5-12-6-17-16(14)7-13-3-2-11-4-15(13)18(17)19(10,8-11)9-12/h10-18H,2-9H2,1H3.
What are the key properties of 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane?
2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane has a molecular weight of 256.43 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexacyclo[7.7.1.13,15.01,12.04,13.06,11]octadecane is sourced from PubChem (CID 123583493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).