(2R)-4,4-dimethyl-3-methylidenepentan-2-ol

C8H16O — CID 124515050

IUPAC(2R)-4,4-dimethyl-3-methylidenepentan-2-ol
SMILESC=C([C@@H](C)O)C(C)(C)C
InChIInChI=1S/C8H16O/c1-6(7(2)9)8(3,4)5/h7,9H,1H2,2-5H3/t7-/m1/s1
InChIKeyQAGDDIGCFAPYTM-SSDOTTSWSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds1

About (2R)-4,4-dimethyl-3-methylidenepentan-2-ol

(2R)-4,4-dimethyl-3-methylidenepentan-2-ol (PubChem CID 124515050) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-3-methylidenepentan-2-ol.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-3-methylidenepentan-2-ol
PubChem CID124515050
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2R)-4,4-dimethyl-3-methylidenepentan-2-ol
SMILESC=C([C@@H](C)O)C(C)(C)C
InChIInChI=1S/C8H16O/c1-6(7(2)9)8(3,4)5/h7,9H,1H2,2-5H3/t7-/m1/s1
InChIKeyQAGDDIGCFAPYTM-SSDOTTSWSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-2-methylene-1-pentanol
CID 78086
2,2,4-Trimethylpent-4-en-1-ol
CID 543901
2,4,4-Trimethylpent-1-en-3-ol
CID 12949695
4,4-Dimethyl-3-methylidenepentane-1,2-diol
CID 12022120
5-Methyl-4-methylidenehexan-3-ol
CID 12036610
1,1,1-Trifluoro-4,4-dimethyl-3-methylidenepentan-2-ol
CID 134335257
2,5-Dimethylhex-1-en-3-ol
CID 267691
2,5,5-Trimethylhepta-1,6-dien-3-ol
CID 130121999
5,5-Dimethyl-4-methylidenehexan-3-ol
CID 12036613
4,4-Dimethyl-3-methylidenepentan-2-ol
CID 13446401
(4R)-3,6-dimethylhepta-1,2-dien-4-ol
CID 102533408
4-Ethyl-2,4-dimethyl-1,5-hexadien-3-ol
CID 129878475

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-3-methylidenepentan-2-ol?
The IUPAC name of (2R)-4,4-dimethyl-3-methylidenepentan-2-ol (CID 124515050) is (2R)-4,4-dimethyl-3-methylidenepentan-2-ol.
What is the SMILES notation for (2R)-4,4-dimethyl-3-methylidenepentan-2-ol?
The canonical SMILES for (2R)-4,4-dimethyl-3-methylidenepentan-2-ol is C=C([C@@H](C)O)C(C)(C)C.
What is the InChIKey of (2R)-4,4-dimethyl-3-methylidenepentan-2-ol?
The InChIKey is QAGDDIGCFAPYTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O/c1-6(7(2)9)8(3,4)5/h7,9H,1H2,2-5H3/t7-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-3-methylidenepentan-2-ol?
(2R)-4,4-dimethyl-3-methylidenepentan-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-3-methylidenepentan-2-ol is sourced from PubChem (CID 124515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).