(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol

C11H20O — CID 89086975

IUPAC(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol
SMILESC=C(C(C)O)[C@H](C)CC1CCC1
InChIInChI=1S/C11H20O/c1-8(9(2)10(3)12)7-11-5-4-6-11/h8,10-12H,2,4-7H2,1,3H3/t8-,10?/m1/s1
InChIKeyARVNDQHNXZRTTG-HNHGDDPOSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds4

About (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol

(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol (PubChem CID 89086975) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol.

Molecular Properties

Compound Name(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol
PubChem CID89086975
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol
SMILESC=C(C(C)O)[C@H](C)CC1CCC1
InChIInChI=1S/C11H20O/c1-8(9(2)10(3)12)7-11-5-4-6-11/h8,10-12H,2,4-7H2,1,3H3/t8-,10?/m1/s1
InChIKeyARVNDQHNXZRTTG-HNHGDDPOSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol?
The IUPAC name of (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol (CID 89086975) is (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol.
What is the SMILES notation for (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol?
The canonical SMILES for (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol is C=C(C(C)O)[C@H](C)CC1CCC1.
What is the InChIKey of (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol?
The InChIKey is ARVNDQHNXZRTTG-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H20O/c1-8(9(2)10(3)12)7-11-5-4-6-11/h8,10-12H,2,4-7H2,1,3H3/t8-,10?/m1/s1.
What are the key properties of (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol?
(4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclobutyl-4-methyl-3-methylidenepentan-2-ol is sourced from PubChem (CID 89086975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).