1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene

C20H34 — CID 174620959

IUPAC1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene
SMILESCC1=C(C2=CCCCCCC2)CCCCCC1C(C)C
InChIInChI=1S/C20H34/c1-16(2)19-14-10-7-11-15-20(17(19)3)18-12-8-5-4-6-9-13-18/h12,16,19H,4-11,13-15H2,1-3H3
InChIKeyRREUPAZHXREADX-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.82
Rot. Bonds2

About 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene

1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene (PubChem CID 174620959) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene
PubChem CID174620959
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene
SMILESCC1=C(C2=CCCCCCC2)CCCCCC1C(C)C
InChIInChI=1S/C20H34/c1-16(2)19-14-10-7-11-15-20(17(19)3)18-12-8-5-4-6-9-13-18/h12,16,19H,4-11,13-15H2,1-3H3
InChIKeyRREUPAZHXREADX-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene?
The IUPAC name of 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene (CID 174620959) is 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene is CC1=C(C2=CCCCCCC2)CCCCCC1C(C)C.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene?
The InChIKey is RREUPAZHXREADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-16(2)19-14-10-7-11-15-20(17(19)3)18-12-8-5-4-6-9-13-18/h12,16,19H,4-11,13-15H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene?
1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene has a molecular weight of 274.49 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene is sourced from PubChem (CID 174620959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).