7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]

C16H22 — CID 123417110

IUPAC7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]
SMILESCC=CC1=CCCC2=C1CC1(CCCC1)C2
InChIInChI=1S/C16H22/c1-2-6-13-7-5-8-14-11-16(12-15(13)14)9-3-4-10-16/h2,6-7H,3-5,8-12H2,1H3
InChIKeyBYMRVZWAPYNYTF-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.93
Rot. Bonds1

About 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]

7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane] (PubChem CID 123417110) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane].

Molecular Properties

Compound Name7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]
PubChem CID123417110
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]
SMILESCC=CC1=CCCC2=C1CC1(CCCC1)C2
InChIInChI=1S/C16H22/c1-2-6-13-7-5-8-14-11-16(12-15(13)14)9-3-4-10-16/h2,6-7H,3-5,8-12H2,1H3
InChIKeyBYMRVZWAPYNYTF-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]?
The IUPAC name of 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane] (CID 123417110) is 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane].
What is the SMILES notation for 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]?
The canonical SMILES for 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane] is CC=CC1=CCCC2=C1CC1(CCCC1)C2.
What is the InChIKey of 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]?
The InChIKey is BYMRVZWAPYNYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-2-6-13-7-5-8-14-11-16(12-15(13)14)9-3-4-10-16/h2,6-7H,3-5,8-12H2,1H3.
What are the key properties of 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane]?
7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane] has a molecular weight of 214.35 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-enylspiro[1,3,4,5-tetrahydroindene-2,1'-cyclopentane] is sourced from PubChem (CID 123417110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).