4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane

C16H26 — CID 22898213

IUPAC4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCCC1CC2CC1C1C3CC(C)C(C3)C21
InChIInChI=1S/C16H26/c1-3-4-10-6-12-8-14(10)16-11-5-9(2)13(7-11)15(12)16/h9-16H,3-8H2,1-2H3
InChIKeyKWWGELCMSGMYBS-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.35
Rot. Bonds2

About 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane

4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 22898213) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID22898213
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCCC1CC2CC1C1C3CC(C)C(C3)C21
InChIInChI=1S/C16H26/c1-3-4-10-6-12-8-14(10)16-11-5-9(2)13(7-11)15(12)16/h9-16H,3-8H2,1-2H3
InChIKeyKWWGELCMSGMYBS-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene
CID 142377230
(8R)-4-propyl-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-11-one
CID 146261960
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
3-methyl-1-propyl-1,2,3,3a,4,4a,5,8,8a,8b-decahydrocyclopenta[a]indene
CID 20700134
methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
CID 156801086
2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine
CID 134298147
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
ethane;1-methyl-2-propylcyclopropane
CID 144710386
(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine
CID 55284909
2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol
CID 142340205

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 22898213) is 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane is CCCC1CC2CC1C1C3CC(C)C(C3)C21.
What is the InChIKey of 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is KWWGELCMSGMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-4-10-6-12-8-14(10)16-11-5-9(2)13(7-11)15(12)16/h9-16H,3-8H2,1-2H3.
What are the key properties of 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane?
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 218.38 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 4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 22898213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).