1,1-di(propan-2-yl)cycloheptane

C13H26 — CID 23589303

IUPAC1,1-di(propan-2-yl)cycloheptane
SMILESCC(C)C1(C(C)C)CCCCCC1
InChIInChI=1S/C13H26/c1-11(2)13(12(3)4)9-7-5-6-8-10-13/h11-12H,5-10H2,1-4H3
InChIKeyZZUWLYVCMJCBKU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds2

About 1,1-di(propan-2-yl)cycloheptane

1,1-di(propan-2-yl)cycloheptane (PubChem CID 23589303) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)cycloheptane.

Molecular Properties

Compound Name1,1-di(propan-2-yl)cycloheptane
PubChem CID23589303
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,1-di(propan-2-yl)cycloheptane
SMILESCC(C)C1(C(C)C)CCCCCC1
InChIInChI=1S/C13H26/c1-11(2)13(12(3)4)9-7-5-6-8-10-13/h11-12H,5-10H2,1-4H3
InChIKeyZZUWLYVCMJCBKU-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-propan-2-ylcyclohexyl)ethanol
CID 69271038
1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
CID 167644574
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468
bis(1,1-di(propan-2-yl)cyclobutane);bis(1,1-di(propan-2-yl)cyclohexane);1,1-di(propan-2-yl)cyclopropane;4,4-di(propan-2-yl)oxane;3,3-di(propan-2-yl)oxetane
CID 157257202
3,3-di(propan-2-yl)azepane
CID 58609824
1,1-bis(1-cyclohexylethyl)cyclohexane
CID 23163026
ethane;1-propan-2-ylcyclohexane-1-thiol
CID 144560520
1,1-di(butan-2-yl)cycloheptane
CID 91149690
2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid
CID 70180199
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
4,4-di(propan-2-yl)thiane
CID 21069098
3,3-di(propan-2-yl)thiane
CID 59129253

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)cycloheptane?
The IUPAC name of 1,1-di(propan-2-yl)cycloheptane (CID 23589303) is 1,1-di(propan-2-yl)cycloheptane.
What is the SMILES notation for 1,1-di(propan-2-yl)cycloheptane?
The canonical SMILES for 1,1-di(propan-2-yl)cycloheptane is CC(C)C1(C(C)C)CCCCCC1.
What is the InChIKey of 1,1-di(propan-2-yl)cycloheptane?
The InChIKey is ZZUWLYVCMJCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11(2)13(12(3)4)9-7-5-6-8-10-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,1-di(propan-2-yl)cycloheptane?
1,1-di(propan-2-yl)cycloheptane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)cycloheptane is sourced from PubChem (CID 23589303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).