1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane

C15H30 — CID 166560829

IUPAC1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
SMILESCC(C)C1CCCC(C)(C)CC1C(C)C
InChIInChI=1S/C15H30/c1-11(2)13-8-7-9-15(5,6)10-14(13)12(3)4/h11-14H,7-10H2,1-6H3
InChIKeyOQJYTYJAJHUXAY-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds2

About 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane

1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane (PubChem CID 166560829) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane.

Molecular Properties

Compound Name1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
PubChem CID166560829
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
SMILESCC(C)C1CCCC(C)(C)CC1C(C)C
InChIInChI=1S/C15H30/c1-11(2)13-8-7-9-15(5,6)10-14(13)12(3)4/h11-14H,7-10H2,1-6H3
InChIKeyOQJYTYJAJHUXAY-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430
3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
CID 134862351
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
3,3-dimethyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103562428

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane?
The IUPAC name of 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane (CID 166560829) is 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane.
What is the SMILES notation for 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane?
The canonical SMILES for 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane is CC(C)C1CCCC(C)(C)CC1C(C)C.
What is the InChIKey of 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane?
The InChIKey is OQJYTYJAJHUXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-11(2)13-8-7-9-15(5,6)10-14(13)12(3)4/h11-14H,7-10H2,1-6H3.
What are the key properties of 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane?
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane is sourced from PubChem (CID 166560829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).