1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane

C17H26 — CID 123564326

IUPAC1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane
SMILESCCCC1C2CC3(C)C4CC2C2CC4C1CC23
InChIInChI=1S/C17H26/c1-3-4-9-10-6-15-13-5-12(10)16-7-11(13)14(9)8-17(15,16)2/h9-16H,3-8H2,1-2H3
InChIKeyKKECKWHZJJFXGX-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.35
Rot. Bonds2

About 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane

1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane (PubChem CID 123564326) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane.

Molecular Properties

Compound Name1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane
PubChem CID123564326
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane
SMILESCCCC1C2CC3(C)C4CC2C2CC4C1CC23
InChIInChI=1S/C17H26/c1-3-4-9-10-6-15-13-5-12(10)16-7-11(13)14(9)8-17(15,16)2/h9-16H,3-8H2,1-2H3
InChIKeyKKECKWHZJJFXGX-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-2,4-dipropylbicyclo[3.1.0]hexane
CID 21354381
2'-methyl-6-propylspiro[bicyclo[3.1.0]hexane-3,1'-cyclopropane]
CID 163943530
1,2-dimethyl-4-propylbicyclo[1.1.1]pentane
CID 91437599
2-decylbicyclo[1.1.0]butane
CID 123632675
9-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 86123910
(6-ethyl-6,9-dimethyl-8-propyl-3-bicyclo[5.2.0]nonanyl)phosphane
CID 134319570
9-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 172560711
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
6-propylbicyclo[3.1.0]hexan-3-one
CID 72536529
2,4,5,6-tetramethyl-3-propyl-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 59917128
1,1-dimethyl-3-propylcyclobutane
CID 19073360

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane?
The IUPAC name of 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane (CID 123564326) is 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane.
What is the SMILES notation for 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane?
The canonical SMILES for 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane is CCCC1C2CC3(C)C4CC2C2CC4C1CC23.
What is the InChIKey of 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane?
The InChIKey is KKECKWHZJJFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-3-4-9-10-6-15-13-5-12(10)16-7-11(13)14(9)8-17(15,16)2/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane?
1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane has a molecular weight of 230.39 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-propylpentacyclo[6.3.2.02,7.04,10.05,12]tridecane is sourced from PubChem (CID 123564326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).