(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C12H20O — CID 12791822

IUPAC(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCCCC/C=C1/C[C@H]2CCC[C@H]2O1
InChIInChI=1S/C12H20O/c1-2-3-4-7-11-9-10-6-5-8-12(10)13-11/h7,10,12H,2-6,8-9H2,1H3/b11-7-/t10-,12-/m1/s1
InChIKeyASNQYIZGKUVSEY-QESQTXLRSA-N
MW180.29 g/mol
LogP3.65
Rot. Bonds3

About (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 12791822) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID12791822
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCCCC/C=C1/C[C@H]2CCC[C@H]2O1
InChIInChI=1S/C12H20O/c1-2-3-4-7-11-9-10-6-5-8-12(10)13-11/h7,10,12H,2-6,8-9H2,1H3/b11-7-/t10-,12-/m1/s1
InChIKeyASNQYIZGKUVSEY-QESQTXLRSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,7aS)-2-butyl-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 134981525
(3aR,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791815
(2E,3aR,6aR)-2-(1-iodopentylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791824
(2E,3aR,6aR)-2-(1-bromopentylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791826
(2E,3aR,6aR)-2-(1-chloropentylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791828
2-Butyl-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran
CID 12791829
5-Butoxybicyclo[2.2.1]hept-1-ene
CID 19989091
(3aS,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,6,6a-tetrahydrocyclopenta[b]furan
CID 58644924
(2Z)-3-butyl-2-ethylidene-5-methyloxolane
CID 89002990
2-(Cyclopropylmethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 90950661
2-Methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 90997735
8-Ethylidene-7-oxabicyclo[4.2.1]nonane
CID 123311074

Frequently Asked Questions

What is the IUPAC name of (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 12791822) is (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is CCCC/C=C1/C[C@H]2CCC[C@H]2O1.
What is the InChIKey of (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is ASNQYIZGKUVSEY-QESQTXLRSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-7-11-9-10-6-5-8-12(10)13-11/h7,10,12H,2-6,8-9H2,1H3/b11-7-/t10-,12-/m1/s1.
What are the key properties of (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 180.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 12791822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).