(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane

C16H29B — CID 174076826

IUPAC(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane
SMILESC=C(C)C(C(=C)C)C(/B=C(\C)C(C)C)C(C)C
InChIInChI=1S/C16H29B/c1-10(2)14(9)17-16(13(7)8)15(11(3)4)12(5)6/h10,13,15-16H,3,5H2,1-2,4,6-9H3
InChIKeyMPFRWADAABRYIU-UHFFFAOYSA-N
MW232.22 g/mol
LogP4.75
Rot. Bonds6

About (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane

(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane (PubChem CID 174076826) has the molecular formula C16H29B and a molecular weight of 232.22 g/mol. Its IUPAC name is (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane.

Molecular Properties

Compound Name(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane
PubChem CID174076826
Molecular FormulaC16H29B
Molecular Weight232.22 g/mol
Exact Mass232.24
IUPAC Name(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane
SMILESC=C(C)C(C(=C)C)C(/B=C(\C)C(C)C)C(C)C
InChIInChI=1S/C16H29B/c1-10(2)14(9)17-16(13(7)8)15(11(3)4)12(5)6/h10,13,15-16H,3,5H2,1-2,4,6-9H3
InChIKeyMPFRWADAABRYIU-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane 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

2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
3-methylbutane-2-thione;(3S)-2,3,4-trimethylpent-1-ene
CID 163218774
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803
(3S,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979804
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
CID 167135190
CID 20646290
CID 20646290
(2S)-3-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139804
acetic acid;3-methylbut-1-en-2-ol
CID 71446576
(3R)-2,3,5-trimethyl-4-methylidenehexane
CID 58859453

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane?
The IUPAC name of (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane (CID 174076826) is (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane.
What is the SMILES notation for (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane?
The canonical SMILES for (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane is C=C(C)C(C(=C)C)C(/B=C(\C)C(C)C)C(C)C.
What is the InChIKey of (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane?
The InChIKey is MPFRWADAABRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29B/c1-10(2)14(9)17-16(13(7)8)15(11(3)4)12(5)6/h10,13,15-16H,3,5H2,1-2,4,6-9H3.
What are the key properties of (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane?
(2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane has a molecular weight of 232.22 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-prop-1-en-2-ylhex-5-en-3-yl)-(3-methylbutan-2-ylidene)borane is sourced from PubChem (CID 174076826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).