1-butyl-1-cycloheptylcycloheptane

C18H34 — CID 140610618

IUPAC1-butyl-1-cycloheptylcycloheptane
SMILESCCCCC1(C2CCCCCC2)CCCCCC1
InChIInChI=1S/C18H34/c1-2-3-14-18(15-10-6-7-11-16-18)17-12-8-4-5-9-13-17/h17H,2-16H2,1H3
InChIKeyUADHLZALOGUOEF-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.49
Rot. Bonds4

About 1-butyl-1-cycloheptylcycloheptane

1-butyl-1-cycloheptylcycloheptane (PubChem CID 140610618) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-butyl-1-cycloheptylcycloheptane.

Molecular Properties

Compound Name1-butyl-1-cycloheptylcycloheptane
PubChem CID140610618
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-butyl-1-cycloheptylcycloheptane
SMILESCCCCC1(C2CCCCCC2)CCCCCC1
InChIInChI=1S/C18H34/c1-2-3-14-18(15-10-6-7-11-16-18)17-12-8-4-5-9-13-17/h17H,2-16H2,1H3
InChIKeyUADHLZALOGUOEF-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
CID 174896798
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
1-butyl-1-(4-ethenylcyclohexyl)cyclohexane
CID 162340884
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
1-(4-butyl-4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607516
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
1-[2-(2,3,4,5,6,7,8,9,10,10a-decahydro-1H-benzo[8]annulen-4a-yl)ethyl]cyclopentane-1-thiol
CID 166778345
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-cycloheptylcycloheptane?
The IUPAC name of 1-butyl-1-cycloheptylcycloheptane (CID 140610618) is 1-butyl-1-cycloheptylcycloheptane.
What is the SMILES notation for 1-butyl-1-cycloheptylcycloheptane?
The canonical SMILES for 1-butyl-1-cycloheptylcycloheptane is CCCCC1(C2CCCCCC2)CCCCCC1.
What is the InChIKey of 1-butyl-1-cycloheptylcycloheptane?
The InChIKey is UADHLZALOGUOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-2-3-14-18(15-10-6-7-11-16-18)17-12-8-4-5-9-13-17/h17H,2-16H2,1H3.
What are the key properties of 1-butyl-1-cycloheptylcycloheptane?
1-butyl-1-cycloheptylcycloheptane has a molecular weight of 250.47 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-cycloheptylcycloheptane is sourced from PubChem (CID 140610618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).