3,5,6,6-tetramethylheptan-2-ylcyclobutane

C15H30 — CID 123690991

IUPAC3,5,6,6-tetramethylheptan-2-ylcyclobutane
SMILESCC(CC(C)C(C)(C)C)C(C)C1CCC1
InChIInChI=1S/C15H30/c1-11(10-12(2)15(4,5)6)13(3)14-8-7-9-14/h11-14H,7-10H2,1-6H3
InChIKeyDEKOGDZSWIYXMS-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds4

About 3,5,6,6-tetramethylheptan-2-ylcyclobutane

3,5,6,6-tetramethylheptan-2-ylcyclobutane (PubChem CID 123690991) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 3,5,6,6-tetramethylheptan-2-ylcyclobutane.

Molecular Properties

Compound Name3,5,6,6-tetramethylheptan-2-ylcyclobutane
PubChem CID123690991
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name3,5,6,6-tetramethylheptan-2-ylcyclobutane
SMILESCC(CC(C)C(C)(C)C)C(C)C1CCC1
InChIInChI=1S/C15H30/c1-11(10-12(2)15(4,5)6)13(3)14-8-7-9-14/h11-14H,7-10H2,1-6H3
InChIKeyDEKOGDZSWIYXMS-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
2-amino-5-cyclobutyl-4-methylhexanoic acid
CID 174468126
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
(1-cyclohexyl-4,5,5-trimethylhexan-2-yl)hydrazine
CID 105296296
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
3,5-dimethylnonan-2-ylcycloheptane
CID 123664073
5-cyclopentyl-2,2-dimethylhexan-3-ol
CID 57260402

Frequently Asked Questions

What is the IUPAC name of 3,5,6,6-tetramethylheptan-2-ylcyclobutane?
The IUPAC name of 3,5,6,6-tetramethylheptan-2-ylcyclobutane (CID 123690991) is 3,5,6,6-tetramethylheptan-2-ylcyclobutane.
What is the SMILES notation for 3,5,6,6-tetramethylheptan-2-ylcyclobutane?
The canonical SMILES for 3,5,6,6-tetramethylheptan-2-ylcyclobutane is CC(CC(C)C(C)(C)C)C(C)C1CCC1.
What is the InChIKey of 3,5,6,6-tetramethylheptan-2-ylcyclobutane?
The InChIKey is DEKOGDZSWIYXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-11(10-12(2)15(4,5)6)13(3)14-8-7-9-14/h11-14H,7-10H2,1-6H3.
What are the key properties of 3,5,6,6-tetramethylheptan-2-ylcyclobutane?
3,5,6,6-tetramethylheptan-2-ylcyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6-tetramethylheptan-2-ylcyclobutane is sourced from PubChem (CID 123690991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).