1,1,5-trimethyl-3-pentan-2-ylcycloheptane

C15H30 — CID 90776790

IUPAC1,1,5-trimethyl-3-pentan-2-ylcycloheptane
SMILESCCCC(C)C1CC(C)CCC(C)(C)C1
InChIInChI=1S/C15H30/c1-6-7-13(3)14-10-12(2)8-9-15(4,5)11-14/h12-14H,6-11H2,1-5H3
InChIKeyRQGWRNFTSNPPKR-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds3

About 1,1,5-trimethyl-3-pentan-2-ylcycloheptane

1,1,5-trimethyl-3-pentan-2-ylcycloheptane (PubChem CID 90776790) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,5-trimethyl-3-pentan-2-ylcycloheptane.

Molecular Properties

Compound Name1,1,5-trimethyl-3-pentan-2-ylcycloheptane
PubChem CID90776790
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,5-trimethyl-3-pentan-2-ylcycloheptane
SMILESCCCC(C)C1CC(C)CCC(C)(C)C1
InChIInChI=1S/C15H30/c1-6-7-13(3)14-10-12(2)8-9-15(4,5)11-14/h12-14H,6-11H2,1-5H3
InChIKeyRQGWRNFTSNPPKR-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane
CID 123613577
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
1-(3,3,5-trimethylcyclohexyl)butan-1-amine
CID 83048656
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1,3,3-trimethyl-5-pentan-2-ylcyclohexane-1-carbonitrile
CID 165174528
(3E)-3-ethylidene-3a-methyl-6-pentan-2-yl-2,4,5,6,7,7a-hexahydro-1H-indene;methanamine
CID 144706313
1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
4-(1-bromobutyl)-1,1-dimethylcyclohexane
CID 83050942
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
1-hexan-3-yl-3-methylcyclohexane
CID 143887329

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethyl-3-pentan-2-ylcycloheptane?
The IUPAC name of 1,1,5-trimethyl-3-pentan-2-ylcycloheptane (CID 90776790) is 1,1,5-trimethyl-3-pentan-2-ylcycloheptane.
What is the SMILES notation for 1,1,5-trimethyl-3-pentan-2-ylcycloheptane?
The canonical SMILES for 1,1,5-trimethyl-3-pentan-2-ylcycloheptane is CCCC(C)C1CC(C)CCC(C)(C)C1.
What is the InChIKey of 1,1,5-trimethyl-3-pentan-2-ylcycloheptane?
The InChIKey is RQGWRNFTSNPPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-7-13(3)14-10-12(2)8-9-15(4,5)11-14/h12-14H,6-11H2,1-5H3.
What are the key properties of 1,1,5-trimethyl-3-pentan-2-ylcycloheptane?
1,1,5-trimethyl-3-pentan-2-ylcycloheptane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethyl-3-pentan-2-ylcycloheptane is sourced from PubChem (CID 90776790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).