3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan

C15H20O — CID 14564121

IUPAC3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan
SMILESC=C1C=C(Cc2ccoc2)[C@@H](C(C)C)CC1
InChIInChI=1S/C15H20O/c1-11(2)15-5-4-12(3)8-14(15)9-13-6-7-16-10-13/h6-8,10-11,15H,3-5,9H2,1-2H3/t15-/m1/s1
InChIKeyKRTIKWUQGOJDNI-OAHLLOKOSA-N
MW216.32 g/mol
LogP4.37
Rot. Bonds3

About 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan

3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan (PubChem CID 14564121) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan.

Molecular Properties

Compound Name3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan
PubChem CID14564121
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan
SMILESC=C1C=C(Cc2ccoc2)[C@@H](C(C)C)CC1
InChIInChI=1S/C15H20O/c1-11(2)15-5-4-12(3)8-14(15)9-13-6-7-16-10-13/h6-8,10-11,15H,3-5,9H2,1-2H3/t15-/m1/s1
InChIKeyKRTIKWUQGOJDNI-OAHLLOKOSA-N
XLogP4.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan?
The IUPAC name of 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan (CID 14564121) is 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan.
What is the SMILES notation for 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan?
The canonical SMILES for 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan is C=C1C=C(Cc2ccoc2)[C@@H](C(C)C)CC1.
What is the InChIKey of 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan?
The InChIKey is KRTIKWUQGOJDNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20O/c1-11(2)15-5-4-12(3)8-14(15)9-13-6-7-16-10-13/h6-8,10-11,15H,3-5,9H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan?
3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan has a molecular weight of 216.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6R)-3-methylidene-6-propan-2-ylcyclohexen-1-yl]methyl]furan is sourced from PubChem (CID 14564121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).