1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane

C14H28 — CID 90791175

IUPAC1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
SMILESCC(C)C1CC(C)C(C)C(C)C(C)C1
InChIInChI=1S/C14H28/c1-9(2)14-7-10(3)12(5)13(6)11(4)8-14/h9-14H,7-8H2,1-6H3
InChIKeyXZHZZDCBSMSKSZ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.60
Rot. Bonds1

About 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane

1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane (PubChem CID 90791175) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
PubChem CID90791175
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
SMILESCC(C)C1CC(C)C(C)C(C)C(C)C1
InChIInChI=1S/C14H28/c1-9(2)14-7-10(3)12(5)13(6)11(4)8-14/h9-14H,7-8H2,1-6H3
InChIKeyXZHZZDCBSMSKSZ-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane
CID 123418337
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
CID 90951781
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 142893702

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane?
The IUPAC name of 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane (CID 90791175) is 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane.
What is the SMILES notation for 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane?
The canonical SMILES for 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane is CC(C)C1CC(C)C(C)C(C)C(C)C1.
What is the InChIKey of 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane?
The InChIKey is XZHZZDCBSMSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-9(2)14-7-10(3)12(5)13(6)11(4)8-14/h9-14H,7-8H2,1-6H3.
What are the key properties of 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane?
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane has a molecular weight of 196.38 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane is sourced from PubChem (CID 90791175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).