4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene

C17H26 — CID 171086700

IUPAC4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCc1cccc2c1CCC(C)CCC2C(C)C
InChIInChI=1S/C17H26/c1-12(2)15-10-8-13(3)9-11-16-14(4)6-5-7-17(15)16/h5-7,12-13,15H,8-11H2,1-4H3
InChIKeyXAYFCEIMGZCJTK-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.10
Rot. Bonds1

About 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene

4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene (PubChem CID 171086700) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene.

Molecular Properties

Compound Name4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
PubChem CID171086700
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCc1cccc2c1CCC(C)CCC2C(C)C
InChIInChI=1S/C17H26/c1-12(2)15-10-8-13(3)9-11-16-14(4)6-5-7-17(15)16/h5-7,12-13,15H,8-11H2,1-4H3
InChIKeyXAYFCEIMGZCJTK-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The IUPAC name of 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene (CID 171086700) is 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene.
What is the SMILES notation for 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The canonical SMILES for 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene is Cc1cccc2c1CCC(C)CCC2C(C)C.
What is the InChIKey of 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The InChIKey is XAYFCEIMGZCJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-12(2)15-10-8-13(3)9-11-16-14(4)6-5-7-17(15)16/h5-7,12-13,15H,8-11H2,1-4H3.
What are the key properties of 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene has a molecular weight of 230.40 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene is sourced from PubChem (CID 171086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).