1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene

C14H20 — CID 178126161

IUPAC1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene
SMILESC1=CC2CCCC2C2=C1CCCCC2
InChIInChI=1S/C14H20/c1-2-5-11-9-10-12-6-4-8-14(12)13(11)7-3-1/h9-10,12,14H,1-8H2
InChIKeyUKQMENADMIEQSE-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds

About 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene

1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene (PubChem CID 178126161) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene.

Molecular Properties

Compound Name1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene
PubChem CID178126161
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene
SMILESC1=CC2CCCC2C2=C1CCCCC2
InChIInChI=1S/C14H20/c1-2-5-11-9-10-12-6-4-8-14(12)13(11)7-3-1/h9-10,12,14H,1-8H2
InChIKeyUKQMENADMIEQSE-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene?
The IUPAC name of 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene (CID 178126161) is 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene.
What is the SMILES notation for 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene?
The canonical SMILES for 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene is C1=CC2CCCC2C2=C1CCCCC2.
What is the InChIKey of 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene?
The InChIKey is UKQMENADMIEQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-5-11-9-10-12-6-4-8-14(12)13(11)7-3-1/h9-10,12,14H,1-8H2.
What are the key properties of 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene?
1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene has a molecular weight of 188.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,6,7,8,9,10,10b-decahydrocyclohepta[e]indene is sourced from PubChem (CID 178126161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).