2-prop-1-en-2-ylspiro[2.4]heptane

C10H16 — CID 123281537

IUPAC2-prop-1-en-2-ylspiro[2.4]heptane
SMILESC=C(C)C1CC12CCCC2
InChIInChI=1S/C10H16/c1-8(2)9-7-10(9)5-3-4-6-10/h9H,1,3-7H2,2H3
InChIKeyKHSLNYHHNOWWIV-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds1

About 2-prop-1-en-2-ylspiro[2.4]heptane

2-prop-1-en-2-ylspiro[2.4]heptane (PubChem CID 123281537) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-prop-1-en-2-ylspiro[2.4]heptane.

Molecular Properties

Compound Name2-prop-1-en-2-ylspiro[2.4]heptane
PubChem CID123281537
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-prop-1-en-2-ylspiro[2.4]heptane
SMILESC=C(C)C1CC12CCCC2
InChIInChI=1S/C10H16/c1-8(2)9-7-10(9)5-3-4-6-10/h9H,1,3-7H2,2H3
InChIKeyKHSLNYHHNOWWIV-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Sabinene
CID 18818
(+)-Sabinene
CID 10887971
(-)-Sabinene
CID 11051711
Pseudocarene
CID 121493613
Sesquithujene
CID 25147318
(1S,5S)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene
CID 53439065
(+)-(2S,6S,7S)-sesquithujene
CID 53359349
7-Epi-sesquithujene
CID 56927990
cis-Sabinene
CID 25086832
(5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 6429260
7,7-Dimethyl-3-methylene-bicyclo[4.1.0]heptane
CID 11129
(1aS,7aS,7bS)-1,1,4-trimethyl-7-methylidene-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[e]azulene
CID 12152396

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylspiro[2.4]heptane?
The IUPAC name of 2-prop-1-en-2-ylspiro[2.4]heptane (CID 123281537) is 2-prop-1-en-2-ylspiro[2.4]heptane.
What is the SMILES notation for 2-prop-1-en-2-ylspiro[2.4]heptane?
The canonical SMILES for 2-prop-1-en-2-ylspiro[2.4]heptane is C=C(C)C1CC12CCCC2.
What is the InChIKey of 2-prop-1-en-2-ylspiro[2.4]heptane?
The InChIKey is KHSLNYHHNOWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)9-7-10(9)5-3-4-6-10/h9H,1,3-7H2,2H3.
What are the key properties of 2-prop-1-en-2-ylspiro[2.4]heptane?
2-prop-1-en-2-ylspiro[2.4]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylspiro[2.4]heptane is sourced from PubChem (CID 123281537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).