4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

C14H26O — CID 20437273

IUPAC4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCCCC1C2C(C(CC2(CO1)C)C)(C)C
InChIInChI=1S/C14H26O/c1-6-7-11-12-13(3,4)10(2)8-14(12,5)9-15-11/h10-12H,6-9H2,1-5H3
InChIKeyKFCMTFALFJFCAW-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.20
Rot. Bonds2

About 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 20437273) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
PubChem CID20437273
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCCCC1C2C(C(CC2(CO1)C)C)(C)C
InChIInChI=1S/C14H26O/c1-6-7-11-12-13(3,4)10(2)8-14(12,5)9-15-11/h10-12H,6-9H2,1-5H3
InChIKeyKFCMTFALFJFCAW-UHFFFAOYSA-N
XLogP4.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity246

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (CID 20437273) is 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is CCCC1C2C(C(CC2(CO1)C)C)(C)C.
What is the InChIKey of 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is KFCMTFALFJFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-7-11-12-13(3,4)10(2)8-14(12,5)9-15-11/h10-12H,6-9H2,1-5H3.
What are the key properties of 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan has a molecular weight of 210.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 20437273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).